Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | STAT6 | P42226 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 6/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7835501 | 0.81 | SMN1; SMN2 (0.35) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9002023 | 0.72 | CDK8 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5658100 | 0.72 | CYP3A4 (0.37) | CYP3A4MAPTSMN1; SMN2RAB9AKMT2A | |
| Hydrochloric Acid SCHEMBL9001976 | 0.71 | CDK8 (0.41) | — | |
| SCHEMBL7835026 | 0.70 | KMT2A (0.39) | MAPTSMN1; SMN2KMT2ATP53KDM4E | |
| SCHEMBL3448499 | 0.70 | PDE10A (0.41) | MAPTSMN1; SMN2RAB9AKMT2AMEN1 | |
| SCHEMBL8373773 | 0.70 | ALDH1A1 (0.40) | SMN1; SMN2RAB9AKMT2ANPC1KDM4E | |
| SCHEMBL7947747 | 0.69 | GAA (0.50) | MAPTSMN1; SMN2RAB9AKMT2AMEN1 | |
| Bromide SCHEMBL7844571 | 0.68 | PDE10A (0.40) | MAPTSMN1; SMN2RAB9AKMT2AMEN1 | |
| SCHEMBL15004601 | 0.66 | RAB9A (0.38) | MAPTSMN1; SMN2RAB9AKMT2AMEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5587383-A | CALMODULIN INHIBITORS; ANTIISCHEMIC AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-12-24 | — | — | US | disclosed |
| EP-0471236-B1 | Imidazopyridine derivatives and their use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-03-15 | — | — | EP | disclosed |
| US-5395839-A | Calmodulin and angiogenesis inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-03-07 | — | — | US | disclosed |
| US-5244908-A | Calmodulin inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-09-14 | — | — | US | disclosed |
| EP-0471236-A1 | Imidazopyridine derivatives and their use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-02-19 | — | — | EP | disclosed |