Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CCR4 | P51679 | 2/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 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 | |
|---|---|---|---|---|
| SCHEMBL11227200 | 0.92 | ENPP1 (0.37) | NPC1RAB9ACCR4CDK1CCNB1 | |
| SCHEMBL11216401 | 0.84 | CCR4 (0.35) | SMN1; SMN2CCR4L3MBTL1PDE4BPDE4D | |
| SCHEMBL11216390 | 0.80 | CDK1 (0.40) | NPC1RAB9ACDK1CCNB1CCNA2 | |
| SCHEMBL11222096 | 0.80 | LTA4H (0.35) | NPC1RAB9ASMN1; SMN2CDK1CCNB1 | |
| SCHEMBL11223761 | 0.80 | SIRT6 (0.33) | SMN1; SMN2CCR4CYP1A2 | |
| SCHEMBL11222083 | 0.72 | POLB (0.36) | NPC1RAB9ASMN1; SMN2HSD17B10CCR4 | |
| SCHEMBL25548420 | 0.71 | NPC1 (0.38) | NPC1RAB9ASMN1; SMN2HSD17B10CCR4 | |
| SCHEMBL31414669 | 0.70 | TDP1 (0.38) | CCR4L3MBTL1CASP3SENP8SENP7 | |
| SCHEMBL26611770 | 0.70 | TDP1 (0.38) | CCR4L3MBTL1CASP3SENP8SENP7 | |
| SCHEMBL6056988 | 0.68 | ALDH1A1 (0.36) | SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4343802-A | ADRENERGIC BLOCKING, ANTIARRYHYTHMIA, AND CARDIOTONIC AGENTS | MERCK, SHARP & DOHME (I.A.) CORP. (US) | 1982-08-10 | — | — | US | disclosed |
| US-4193995-A | B-ADRENERGIC BLOCKING AGENTS | MERCK SHARP & DOHME (I.A.) CORP. (US) | 1980-03-18 | — | — | US | disclosed |
| US-4042586-A | ADRENERGIC BLOCKING AGENTS | MERCK SHARP & DOHME (I.A.) CORPORATION (US) | 1977-08-16 | — | — | US | disclosed |
| US-3946009-A | ADRENERGIC BLOCKING AGENTS | MERCK SHARP & DOHME (I.A.) CORPORATION (US) | 1976-03-23 | — | — | US | disclosed |