Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CKS1B | P61024 | 1/20 | 0.49 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | TYR | P14679 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | XDH | P47989 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL25933615 | 0.81 | DPP4 (0.48) | ALDH1A1HPGDHSD17B10CYP1A2CYP3A4 | |
| SCHEMBL3653076 | 0.81 | DPP4 (0.51) | ALDH1A1HPGDHSD17B10CYP1A2CYP3A4 | |
| SCHEMBL27359234 | 0.81 | NPC1 (0.56) | ALDH1A1HPGDHSD17B10CYP1A2CYP3A4 | |
| SCHEMBL8324095 | 0.80 | ALDH1A1 (0.69) | ALDH1A1HPGDTP53ALOX15ALOX12 | |
| Hydrochloric Acid SCHEMBL12499484 | 0.80 | DPP4 (0.50) | ALDH1A1HPGDHSD17B10CYP1A2CYP3A4 | |
| SCHEMBL4313332 | 0.79 | KMT2A (0.46) | ALDH1A1HPGDALOX15CYP1A2CYP2C19 | |
| SCHEMBL16709786 | 0.79 | L3MBTL1 (0.50) | ALDH1A1HPGDKMT2ALMNAKDM4E | |
| SCHEMBL8322616 | 0.79 | ABCB1 (0.52) | HPGDLMNAMAPTRAB9ANPC1 | |
| SCHEMBL4123831 | 0.79 | DPP4 (0.51) | ALDH1A1HPGDTP53ALOX15ALOX12 | |
| SCHEMBL14966988 | 0.78 | MAPT (0.65) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 |
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-0733033-B1 | PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS | ZENECA LTD (GB) | 1999-12-22 | — | — | EP | disclosed |
| US-5811459-A | PAIN RELIEVERS | ZENECA LIMITED (GB) | 1998-09-22 | — | — | US | disclosed |
| EP-0733033-A1 | PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS | ZENECA LIMITED (GB) | 1996-09-25 | — | — | EP | disclosed |
| WO-1996011902-A1 | PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS | ZENECA LIMITED (GB) | 1996-04-25 | — | — | WO | disclosed |