Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 9/20 | 0.33 |
| ▸ | NOS1 | P29475 | 9/20 | 0.33 |
| ▸ | NOS2 | P35228 | 9/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12299446 | 0.84 | POLB (0.32) | AR | |
| SCHEMBL21635295 | 0.84 | AR (0.32) | AR | |
| SCHEMBL13183400 | 0.80 | VCAM1 (0.38) | VCAM1NOS3NOS1NOS2MAOA | |
| SCHEMBL21083818 | 0.79 | CYP11B1 (0.38) | MAOAMAOBARALDH1A1LMNA | |
| SCHEMBL12246952 | 0.79 | — | — | |
| SCHEMBL2658949 | 0.78 | ICMT (0.30) | — | |
| SCHEMBL4491246 | 0.78 | TSHR (0.37) | ARALDH1A1HTTKDM4EHPGD | |
| SCHEMBL31048086 | 0.78 | TSHR (0.37) | ARALDH1A1HTTKDM4EHPGD | |
| SCHEMBL5892425 | 0.75 | ALDH1A1 (0.39) | MEN1ALDH1A1KMT2ALMNAKDM4E | |
| SCHEMBL2659671 | 0.75 | CA1 (0.34) | GPR35 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12037324-B2 | Biarylmethyl heterocycles | BRISTOL-MYERS SQUIBB COMPANY (US) | 2024-07-16 | — | — | US | disclosed |
| EP-3478672-B1 | BIARYLMETHYL HETEROCYCLES | UNIV MONTREAL (CA) | 2024-04-10 | — | — | EP | disclosed |
| US-20230045357-A1 | BIARYLMETHYL HETEROCYCLES | Université de Montréal (CA) | 2023-02-09 | — | — | US | disclosed |
| US-11407733-B2 | Biarylmethyl heterocycles | BRISTOL-MYERS SQUIBB COMPANY (US) | 2022-08-09 | — | — | US | disclosed |
| US-20190202808-A1 | BIARYLMETHYL HETEROCYCLES | BRISTOL-MYERS SQUIBB COMPANY | 2019-07-04 | — | — | US | disclosed |
| EP-3478672-A1 | BIARYLMETHYL HETEROCYCLES | Université de Montréal (CA) | 2019-05-08 | — | — | EP | disclosed |
| WO-2018005591-A1 | BIARYLMETHYL HETEROCYCLES | UNIVERSITE DE MONTREAL (CA) | 2018-01-04 | — | — | WO | disclosed |
| EP-2651899-B1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2017-05-31 | — | — | EP | disclosed |
| US-20160060262-A1 | Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof | GENENTECH, INC. (US) | 2016-03-03 | — | — | US | disclosed |
| US-9206175-B2 | Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof | GENENTECH, INC. (US) | 2015-12-08 | — | — | US | disclosed |
| US-20140088076-A1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2014-03-27 | — | — | US | disclosed |
| US-8623889-B2 | Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof | GENENTECH, INC. (US) | 2014-01-07 | — | — | US | disclosed |
| EP-2651899-A2 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | F.HOFFMANN-LA ROCHE AG (CH) | 2013-10-23 | — | — | EP | disclosed |
| US-20120322785-A1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2012-12-20 | — | — | US | disclosed |
| WO-2012080284-A2 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2012-06-21 | — | — | 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 (7 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-11407733-B2 | Biarylmethyl heterocycles | ARRB1, ADRB2, ADRB1 | VCAM1 1721/4885NOS3 1783/4885NOS1 2727/4885 |
| US-20190202808-A1 | BIARYLMETHYL HETEROCYCLES | ARRB1, ADRB2, ADRB1 | VCAM1 1721/4885NOS3 1783/4885NOS1 2727/4885 |
| US-20160060262-A1 | Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof | XDH, CYP2B6, COX6B1 | VCAM1 4827/4885NOS3 50/4885NOS1 209/4885 |
| US-20120322785-A1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | XDH, CYP2B6, COX6B1 | VCAM1 4827/4885NOS3 50/4885NOS1 209/4885 |
| US-20140088076-A1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | XDH, CYP2B6, COX6B1 | VCAM1 4827/4885NOS3 50/4885NOS1 209/4885 |
| US-12037324-B2 | Biarylmethyl heterocycles | ARRB1, ADRB2, ADRB1 | VCAM1 1721/4885NOS3 1783/4885NOS1 2727/4885 |
| US-20230045357-A1 | BIARYLMETHYL HETEROCYCLES | ARRB1, ADRB2, ADRB1 | VCAM1 1721/4885NOS3 1783/4885NOS1 2727/4885 |
“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.