Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 14/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 13/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 11/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | NCOR2 | Q9Y618 | 7/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL250263 | 0.85 | HDAC3 (0.64) | HDAC1HDAC3HDAC2MAPK1NCOR2 | |
| SCHEMBL211677 | 0.80 | HDAC1 (0.76) | HDAC1HDAC3HDAC2MAPK1NCOR2 | |
| SCHEMBL3762348 | 0.80 | HDAC1 (0.64) | HDAC1HDAC3HDAC2MAPK1NCOR2 | |
| SCHEMBL8609928 | 0.77 | HPGD (0.65) | HDAC1HDAC3HDAC2MAPK1NCOR2 | |
| Benzylamine SCHEMBL3188490 | 0.77 | LOXL2 (0.74) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| Benzylamine SCHEMBL3891720 | 0.77 | LOXL2 (0.74) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL6206535 | 0.76 | GAA (0.55) | HDAC1HDAC3HDAC2MAPK1NCOR2 | |
| SCHEMBL653241 | 0.75 | HDAC3 (0.68) | HDAC1HDAC3HDAC2MAPK1NCOR2 | |
| SCHEMBL16016632 | 0.75 | HDAC3 (0.61) | HDAC1HDAC3HDAC2NCOR2HDAC10 | |
| SCHEMBL1521002 | 0.75 | RAB9A (0.71) | HDAC1HDAC3HDAC2NCOR2HDAC10 |
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-0960104-A1 | N-(AMIDINOPHENYL)-N'-(SUBST.)-3H-2,4-BENZODIAZEPIN-3-ONE DERIVATIVES AS FACTOR XA INHIBITORS | Du Pont Pharmaceuticals Company (US) | 1999-12-01 | — | — | EP | disclosed |
| WO-1997038984-A1 | N-(AMIDINOPHENYL)-N'-(SUBST.)-3H-2,4-BENZODIAZEPIN-3-ONE DERIVATIVES AS FACTOR XA INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1997-10-23 | — | — | WO | disclosed |