Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 13/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7854880 | 0.79 | SIGMAR1 (0.45) | SIGMAR1P2RX7KCNH2 | |
| SCHEMBL1394234 | 0.79 | RIPK1 (0.41) | KDM4EALDH1A1MAPT | |
| SCHEMBL7860176 | 0.79 | KCNH2 (0.44) | SIGMAR1P2RX7KCNH2 | |
| SCHEMBL8716803 | 0.78 | KCNH2 (0.46) | SIGMAR1P2RX7KCNH2EPHX2 | |
| SCHEMBL7861681 | 0.78 | KCNH2 (0.60) | SIGMAR1P2RX7KCNH2 | |
| SCHEMBL7862787 | 0.77 | KCNH2 (0.47) | SIGMAR1P2RX7KCNH2EPHX2 | |
| SCHEMBL542273 | 0.77 | MTNR1A (0.44) | KDM4EALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL20580043 | 0.76 | DDB1 (0.51) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL20580042 | 0.76 | DDB1 (0.51) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL22363308 | 0.74 | FPR2 (0.50) | — |
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-0830350-B1 | N-(1-ALKYL-5-PHENYL-2,3,4,5-TETRAHYDRO-1H-BENZO[B][1,5]DIAZEPIN-3-YL)-ACETAMIDES | MERCK & CO INC (US) | 2001-10-04 | — | — | EP | disclosed |
| US-5726171-A | N-(1-alkyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo B! 1,4!diazepin-3yl)-acetamides | MERCK & CO INC (US) | 1998-03-10 | — | — | US | disclosed |