Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11616262 | 0.82 | PTGDR2 (0.47) | KMT2AMEN1KDM4EALDH1A1POLB | |
| SCHEMBL28785118 | 0.73 | ALDH1A1 (0.41) | KMT2AHPGDKDM4EALDH1A1POLB | |
| SCHEMBL11614313 | 0.72 | NPC1 (0.44) | KMT2AMEN1RAB9AHPGDKDM4E | |
| SCHEMBL11616738 | 0.70 | MAPK1 (0.45) | KMT2AMEN1RAB9AHPGDKDM4E | |
| SCHEMBL11614755 | 0.69 | DRD3 (0.39) | KMT2AMEN1RAB9AKDM4EALDH1A1 | |
| SCHEMBL11614849 | 0.68 | NPSR1 (0.49) | KMT2AMEN1RAB9AALDH1A1POLB | |
| SCHEMBL11618645 | 0.67 | NPC1 (0.40) | KMT2AMEN1RAB9AHPGDALDH1A1 | |
| SCHEMBL11612842 | 0.67 | KMT2A (0.52) | KMT2AMEN1RAB9AHPGDALDH1A1 | |
| SCHEMBL13317295 | 0.66 | CHRM5 (0.45) | RAB9AHPGDALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL11618307 | 0.66 | PTGDR2 (0.41) | — |
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-4117145-A | DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-26 | — | — | US | disclosed |
| US-4117143-A | USED AS ANTITHROMBOTIC AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-26 | — | — | US | disclosed |
| US-4113957-A | DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-12 | — | — | US | disclosed |