Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14009484 | 0.80 | CASP1 (0.44) | KMT2AALDH1A1CASP1CYP2C19HIF1A | |
| SCHEMBL661387 | 0.80 | CASP1 (0.44) | KMT2AALDH1A1CASP1CYP2C19HIF1A | |
| SCHEMBL1417549 | 0.80 | CASP1 (0.44) | KMT2AALDH1A1CASP1CYP2C19HIF1A | |
| SCHEMBL5786719 | 0.79 | PTGS1 (0.45) | KMT2AALDH1A1HPGDNOS3NOS1 | |
| SCHEMBL27964846 | 0.79 | KMT2A (0.41) | KMT2AALDH1A1NR4A2GAANLRP3 | |
| SCHEMBL5179498 | 0.79 | ALDH1A1 (0.40) | KMT2AALDH1A1CYP1A2HIF1ACYP2D6 | |
| SCHEMBL9984510 | 0.78 | KMT2A (0.46) | KMT2AALDH1A1GAANLRP3MEN1 | |
| SCHEMBL11254962 | 0.78 | KMT2A (0.40) | KMT2AALDH1A1NR4A2NLRP3NOS3 | |
| SCHEMBL30296727 | 0.77 | CA12 (0.43) | KMT2AALDH1A1NR4A2HSD17B10KDM4E | |
| SCHEMBL26620210 | 0.77 | CA12 (0.43) | KMT2AALDH1A1NR4A2HSD17B10KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5449682-A | Angiotensin II antagonists incorporating a substituted benzyl element | MERCK & CO., INC. (US) | 1995-09-12 | — | — | US | disclosed |
| US-5240938-A | Angiotensin II antagonists incorporating a substituted pyridoimidazolyl ring | MERCK & CO., INC. (US) | 1993-08-31 | — | — | US | disclosed |
| WO-1991011999-A1 | ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT | MERCK & CO., INC. (US) | 1991-08-22 | — | — | WO | disclosed |
| US-4318915-A | Substituted guandines and methods of preparation thereof | BEIERSDORF AKTIENGESELLSCHAFT (DE) | 1982-03-09 | — | — | US | disclosed |