Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11612175 | 0.76 | KMT2A (0.45) | KMT2ANPC1RAB9AKDM4ECYP1A2 | |
| SCHEMBL11616738 | 0.72 | MAPK1 (0.45) | KMT2ARAB9AKDM4EALDH1A1MEN1 | |
| SCHEMBL11614116 | 0.72 | PTGIR (0.44) | NPC1RAB9ASMN1; SMN2KDM4ECYP2C19 | |
| SCHEMBL5101418 | 0.69 | KMT2A (0.82) | KMT2ANPC1RAB9AEPHX1SMN1; SMN2 | |
| SCHEMBL11612313 | 0.69 | HPGD (0.48) | KMT2ARAB9ACYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL11615509 | 0.69 | NPC1 (0.50) | KMT2ANPC1RAB9ASMN1; SMN2ADORA2A | |
| SCHEMBL11464053 | 0.69 | EPHX1 (0.44) | KMT2ANPC1RAB9AEPHX1SMN1; SMN2 | |
| SCHEMBL11613428 | 0.68 | PTGDR2 (0.39) | KMT2ANPC1RAB9ASMN1; SMN2CYP2C19 | |
| SCHEMBL11611800 | 0.68 | PTGDR2 (0.45) | KMT2ANPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL5649640 | 0.68 | KMT2A (1.00) | KMT2ANPC1RAB9AEPHX1SMN1; SMN2 |
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 |