Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | CTSC | P53634 | 2/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.34 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24816477 | 0.81 | MAOA (0.48) | MAOAMAOB | |
| SCHEMBL11558761 | 0.81 | MAOA (0.48) | MAOAMAOB | |
| SCHEMBL6462848 | 0.80 | KDM1A (0.35) | HSD11B1SMN1; SMN2IDO1 | |
| SCHEMBL21452018 | 0.75 | CYP19A1 (0.40) | KCNH2CTSCLOXL2TP53MAOA | |
| SCHEMBL24816872 | 0.70 | HPGD (0.38) | MAPTPOLBSMN1; SMN2 | |
| SCHEMBL6410014 | 0.69 | CYP3A4 (0.35) | KCNH2CTSCUSP2CYP2D6TSHR | |
| SCHEMBL8830648 | 0.69 | GPR119 (0.45) | KCNH2CTSCLOXL2USP2CYP2D6 | |
| SCHEMBL21452022 | 0.69 | CYP19A1 (0.40) | TP53MAPTMAOAMAOBHSD11B1 | |
| SCHEMBL21452012 | 0.69 | KDM1A (0.42) | MAOAMAOBHSD11B1 | |
| SCHEMBL21452474 | 0.68 | ABCC9 (0.40) | MAOAMAOBHSD11B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6974815-B2 | Hexahydro-benzimidazolone compounds useful as anti-inflammatory agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-13 | — | — | US | disclosed |
| US-20040116467-A1 | Hexahydro-benzimidazolone compounds useful as anti-inflammatory agents | CEREP SA (FR) | 2004-06-17 | — | — | US | disclosed |
| WO-2004032861-A2 | HEXAHYDRO-BENZIMIDAZOLONE COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-04-22 | — | — | WO | disclosed |