Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 3/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL9050459 | 0.86 | RAB9A (0.39) | CYP1A2CYP3A4TSHRCYP2C19MEN1 | |
| SCHEMBL9052108 | 0.79 | HTR3A (0.46) | CYP3A4MEN1KMT2AP2RX7ALDH1A1 | |
| SCHEMBL9048273 | 0.76 | HTR3A (0.43) | MTNR1AMTNR1BCYP1A2CYP3A4HPGD | |
| Fumaric Acid SCHEMBL9050432 | 0.76 | HTR3A (0.40) | MTNR1AMTNR1BCYP1A2CYP3A4HPGD | |
| SCHEMBL9050466 | 0.75 | SIRT1 (0.36) | CYP1A2CYP3A4HPGDTSHRMEN1 | |
| Fumaric Acid SCHEMBL9050450 | 0.74 | HTR3A (0.48) | MTNR1AMTNR1BCYP1A2CYP3A4HPGD | |
| SCHEMBL9048282 | 0.74 | HTR3A (0.52) | MTNR1AMTNR1BCYP1A2CYP3A4HPGD | |
| SCHEMBL9052002 | 0.73 | ALDH1A1 (0.36) | CYP1A2HPGDCYP2C9P2RX7ALDH1A1 | |
| SCHEMBL9048666 | 0.73 | ADRA2A (0.55) | CYP1A2CYP2C9ALDH1A1CYP2D6MAPT | |
| SCHEMBL9052277 | 0.73 | ADRA2A (0.55) | CYP1A2CYP2C9ALDH1A1CYP2D6MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0381422-B1 | Tetrahydrobenzimidazole derivatives | YAMANOUCHI PHARMA CO LTD (JP) | 1996-10-23 | — | — | EP | disclosed |
| US-5496942-A | 5-HT3-RECEPTOR ANTAGONISTS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1996-03-05 | — | — | US | disclosed |
| US-5344927-A | 5-HT3 antagonist | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1994-09-06 | — | — | US | disclosed |
| EP-0381422-A1 | Tetrahydrobenzimidazole derivatives | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1990-08-08 | — | — | EP | disclosed |