Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | NCF1 | P14598 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19222563 | 0.82 | SORD (0.46) | CYP1A2CYP3A4CYP2C19NCF1CYP2D6 | |
| SCHEMBL28624697 | 0.82 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C19NCF1CYP2D6 | |
| SCHEMBL19222561 | 0.82 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C19NCF1CYP2D6 | |
| SCHEMBL10082888 | 0.72 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C19MAPTALDH1A1 | |
| SCHEMBL11919247 | 0.72 | ALDH1A1 (0.42) | ALDH1A1CYP2C9 | |
| SCHEMBL10082487 | 0.72 | TYK2 (0.41) | CYP2C19MAPTALDH1A1 | |
| SCHEMBL10065608 | 0.71 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C19NCF1CYP2D6 | |
| SCHEMBL30803768 | 0.71 | — | — | |
| SCHEMBL2751436 | 0.71 | — | — | |
| SCHEMBL830187 | 0.71 | CYP1A2 (0.37) | CYP1A2NOS3NOS2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230346951-A1 | MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS | YALE UNIVERSITY | 2023-11-02 | — | — | US | disclosed |
| EP-3647311-B1 | RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF | BEIJING TIDE PHARMACEUTICAL CO LTD (CN) | 2023-11-01 | — | — | EP | disclosed |
| US-20230303586-A1 | INHIBITORS OF KRAS G12C | ARAXES PHARMA LLC (US) | 2023-09-28 | — | — | US | disclosed |
| CN-102203080-A | Heterocyclically substituted anilinopyrimidines as fungicides | BAYER CROPSCIENCE AG | 2011-09-28 | — | — | CN | disclosed |
| CN-102143688-A | 4-alkyl-substituted diaminopyrimidines | BAYER CROPSCIENCE AG | 2011-08-03 | — | — | CN | disclosed |
| US-7727997-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2010-06-01 | — | — | US | disclosed |
| US-20070213316-A1 | Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease | ELAN PHARMACEUTICALS, INC. | 2007-09-13 | — | — | US | disclosed |
| US-7176242-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-02-13 | — | — | US | disclosed |
| CN-1759095-A | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARM INC (US) | 2006-04-12 | — | — | CN | disclosed |
| EP-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | disclosed |
| US-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | PHARMACIA & UPJOHN COMPANY | 2004-09-02 | — | — | US | disclosed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | 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 (4 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-20230346951-A1 | MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS | ASGR1, MSR1, LDLR | CYP1A2 3142/4885CYP3A4 4211/4885CYP2C19 4176/4885 |
| US-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | BACE1, BACE2, PSEN1 | CYP1A2 1897/4885CYP3A4 3402/4885CYP2C19 3144/4885 |
| US-20070213316-A1 | Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease | BACE1, BACE2, APP | CYP1A2 3371/4885CYP3A4 2947/4885CYP2C19 4077/4885 |
| US-20230303586-A1 | INHIBITORS OF KRAS G12C | KRAS, NRAS, HRAS | CYP1A2 3408/4885CYP3A4 3708/4885CYP2C19 3772/4885 |
“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.