Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.66 |
| ▸ | RAB9A | P51151 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | HPGD | P15428 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | F10 | P00742 | 2/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | ROCK2 | O75116 | 10/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9574547 | 0.92 | NPC1 (0.55) | NPC1RAB9ACYP1A2CYP2D6HPGD | |
| SCHEMBL8843033 | 0.86 | NPC1 (0.59) | NPC1RAB9ACYP1A2CYP2D6HPGD | |
| SCHEMBL3096109 | 0.82 | GAA (0.73) | NPC1RAB9ACYP1A2CYP2D6HPGD | |
| SCHEMBL8843680 | 0.79 | F10 (0.64) | F10 | |
| SCHEMBL9574549 | 0.78 | MEN1 (0.51) | NPC1RAB9ACYP1A2CYP2D6HPGD | |
| Fumaric Acid SCHEMBL8843096 | 0.78 | ALDH1A1 (0.57) | NPC1RAB9ACYP1A2CYP2D6HPGD | |
| Fumaric Acid SCHEMBL8843089 | 0.78 | ALDH1A1 (0.57) | NPC1RAB9ACYP1A2CYP2D6HPGD | |
| SCHEMBL112005 | 0.77 | GRAMD1A (0.53) | NPC1RAB9ACYP1A2CYP2D6HPGD | |
| SCHEMBL4247062 | 0.76 | NPC1 (0.55) | NPC1RAB9ACYP1A2CYP2D6HPGD | |
| SCHEMBL12307367 | 0.76 | KDM4E (0.55) | NPC1RAB9ACYP1A2CYP2D6HPGD |
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-5424431-A | Shows selective agonistic activity for 5-HT3 receptor, useful drug for digestive disorder | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1995-06-13 | — | — | US | claimed |
| US-5656637-A | SEROTONIN RECEIVER ANTAGONIST; PSYCHOLOGICAL DISORDERS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1997-08-12 | — | — | US | disclosed |
| US-5424431-A | Shows selective agonistic activity for 5-HT3 receptor, useful drug for digestive disorder | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1995-06-13 | — | — | US | disclosed |