Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.31 |
| ▸ | CXCR6 | O00574 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL6168648 | 0.93 | RORC (0.31) | NTRK1CREBBPEP300RORCKMT2A | |
| SCHEMBL6622803 | 0.86 | GABRA5 (0.34) | CREBBPEP300RORCPOLB | |
| SCHEMBL6607880 | 0.84 | CREBBP (0.33) | CREBBPEP300RORCALDH1A1CYP3A4 | |
| SCHEMBL6635699 | 0.82 | CREBBP (0.35) | NTRK1CREBBPEP300RORCKMT2A | |
| SCHEMBL6607953 | 0.81 | CREBBP (0.38) | CREBBPEP300KMT2A | |
| SCHEMBL6165290 | 0.79 | GABRA5 (0.32) | — | |
| SCHEMBL6165927 | 0.79 | HDAC6 (0.33) | CREBBPEP300ALDH1A1POLB | |
| SCHEMBL5562854 | 0.79 | CCR2 (0.32) | CREBBPEP300 | |
| SCHEMBL6609038 | 0.78 | SLC16A3 (0.34) | CREBBPEP300RORC | |
| SCHEMBL6608546 | 0.78 | HSD11B1 (0.36) | CREBBPEP300POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1379511-A1 | DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II | F. HOFFMANN-LA ROCHE AG (CH) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002083652-A1 | DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-24 | — | — | WO | disclosed |