Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | HPGD | P15428 | 2/20 | 0.67 |
| ▸ | MDH1 | P40925 | 3/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | MDH2 | P40926 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL21998681 | 0.94 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL21998663 | 0.94 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL21998673 | 0.94 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5089008 | 0.89 | MAPT (0.71) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8548740 | 0.87 | ALDH1A1 (0.69) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7567258 | 0.85 | SMN1; SMN2 (0.69) | ALDH1A1HPGDRAB9ANPC1KDM4E | |
| SCHEMBL9030520 | 0.85 | L3MBTL1 (0.68) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10969527 | 0.85 | KDM4E (0.72) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL15945988 | 0.84 | KDM4E (0.60) | ALDH1A1CYP1A2CYP3A4CYP2C19HPGD | |
| SCHEMBL9198473 | 0.82 | MEN1 (0.70) | ALDH1A1HPGDLMNARAB9ANPC1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0685470-B1 | Benzene derivatives and pharmaceutical composition | KUREHA CHEMICAL IND CO LTD (JP) | 2002-09-11 | — | — | EP | disclosed |
| EP-0685470-A2 | Benzene derivatives and pharmaceutical composition | Kureha Chemical Industry Co., Ltd. (JP) | 1995-12-06 | — | — | EP | disclosed |
| EP-0425921-B1 | Benzimidazole derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-08-09 | — | — | EP | disclosed |
| US-5250554-A | Cardiovascular disorders | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-10-05 | — | — | US | disclosed |
| US-5128356-A | Angiotensin antagonist; cardiovascular disorders | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-07-07 | — | — | US | disclosed |
| EP-0425921-A1 | Benzimidazole derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-05-08 | — | — | EP | disclosed |