Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.52 |
| ▸ | NOS1 | P29475 | 1/20 | 0.52 |
| ▸ | NOS2 | P35228 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.33 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.32 |
| ▸ | LOX | P28300 | 2/20 | 0.32 |
| ▸ | CTSA | P10619 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30640985 | 0.80 | NOS3 (0.52) | NOS3NOS1NOS2CYP1A2CYP2A6 | |
| SCHEMBL6509903 | 0.80 | NOS3 (0.52) | NOS3NOS1NOS2TRPA1SMYD3 | |
| SCHEMBL3302943 | 0.80 | NOS3 (0.52) | NOS3NOS1NOS2CYP1A2CYP2A6 | |
| SCHEMBL17000212 | 0.79 | GABRA1 (0.37) | NOS3NOS1NOS2HDAC8BTK | |
| SCHEMBL10038829 | 0.78 | NOS3 (0.50) | NOS3NOS1NOS2BTKTRPA1 | |
| SCHEMBL1460015 | 0.72 | — | — | |
| SCHEMBL31673109 | 0.72 | — | — | |
| SCHEMBL24816245 | 0.72 | NOS3 (0.43) | NOS3NOS1NOS2MAP3K14 | |
| SCHEMBL23021938 | 0.72 | NOS3 (0.43) | NOS3NOS1NOS2 | |
| SCHEMBL18857402 | 0.72 | MAPK1 (0.37) | HDAC8 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1434772-A4 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORP (US) | 2005-05-04 | — | — | EP | claimed |
| US-20040192914-A1 | Compounds and methods | SMITHKLINE BEECHAM CORPORATION | 2004-09-30 | — | — | US | claimed |
| EP-1434772-A1 | COMPOUNDS AND METHODS | SmithKline Beecham Corporation (US) | 2004-07-07 | — | — | EP | claimed |
| WO-2003031434-A1 | COMPOUNDS AND METHODS | SMITH KLINE BEECHAM CORPORATION (US) | 2003-04-17 | — | — | WO | claimed |
| US-11541044-B2 | K-Ras modulators | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2023-01-03 | — | — | US | disclosed |
| US-11208388-B2 | Certain chemical entities, compositions, and methods | NEUPHARMA, INC (US) | 2021-12-28 | — | — | US | disclosed |
| US-20210196695-A1 | K-RAS MODULATORS | LEIDOS BIOMEDICAL RESEARCH, INC. | 2021-07-01 | — | — | US | disclosed |
| US-11005050-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2021-05-11 | — | — | US | disclosed |
| US-10828300-B2 | Substituted 2,4-diaminopyrimidines as kinase inhibitors | CELGENE CAR LLC (BM) | 2020-11-10 | — | — | US | disclosed |
| US-20190117650-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2019-04-25 | — | — | US | disclosed |
| EP-2900660-B1 | HERBICIDAL AND FUNGICIDAL 3-HETEROARYLISOXAZOLIN-5-CARBOXAMIDES AND 3-HETEROARYLISOXAZOLIN-5-THIOAMIDES | BAYER CROPSCIENCE AG (DE) | 2018-01-17 | — | — | EP | disclosed |
| EP-3094638-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2017-11-08 | — | — | EP | disclosed |
| US-20080300268-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2008-12-04 | — | — | US | disclosed |
| US-20050143578-A1 | Compounds and methods | SMITHKLINE BEECHAM CORPORATION | 2005-06-30 | — | — | US | disclosed |
| US-20050113397-A1 | Imidazo[1,2-a]pyridine derivative | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2005-05-26 | — | — | US | disclosed |
| EP-1434772-A4 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORP (US) | 2005-05-04 | — | — | EP | disclosed |
| EP-1479681-A1 | IMIDAZO(1,2-a)PYRIDINE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-11-24 | — | — | EP | disclosed |
| US-20040192914-A1 | Compounds and methods | SMITHKLINE BEECHAM CORPORATION | 2004-09-30 | — | — | US | disclosed |
| EP-1434772-A1 | COMPOUNDS AND METHODS | SmithKline Beecham Corporation (US) | 2004-07-07 | — | — | EP | disclosed |
| WO-2003031434-A1 | COMPOUNDS AND METHODS | SMITH KLINE BEECHAM CORPORATION (US) | 2003-04-17 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-11541044-B2 | K-Ras modulators | KRAS, HRAS, NRAS | NOS3 4401/4885NOS1 4155/4885NOS2 4205/4885 |
| US-20040192914-A1 | Compounds and methods | METAP2, METAP1, DNPEP | NOS3 84/4885NOS1 143/4885NOS2 54/4885 |
| US-20080300268-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | ABCG2, CYP3A5, CYP3A43 | NOS3 1410/4885NOS1 3230/4885NOS2 1932/4885 |
| US-11208388-B2 | Certain chemical entities, compositions, and methods | BRAF, PIK3CA, PLK1 | NOS3 3512/4885NOS1 4194/4885NOS2 3733/4885 |
| US-20050143578-A1 | Compounds and methods | METAP2, METAP1, DNPEP | NOS3 99/4885NOS1 194/4885NOS2 43/4885 |
| US-11005050-B2 | Metal complexes | SOD1, AP1M1, AP3M1 | NOS3 3317/4885NOS1 3883/4885NOS2 3648/4885 |
| US-10828300-B2 | Substituted 2,4-diaminopyrimidines as kinase inhibitors | ABL1, DCK, ERBB2 | NOS3 3458/4885NOS1 3564/4885NOS2 3141/4885 |
| US-20190117650-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | ABCG2, CYP3A43, CYP3A5 | NOS3 3341/4885NOS1 4784/4885NOS2 4219/4885 |
| US-20210196695-A1 | K-RAS MODULATORS | KRAS, HRAS, NRAS | NOS3 4401/4885NOS1 4155/4885NOS2 4205/4885 |
| US-20050113397-A1 | Imidazo[1,2-a]pyridine derivative | MANBA, MAN2B1, ERG28 | NOS3 230/4885NOS1 29/4885NOS2 75/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.