Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10726634 | 0.84 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TP53TDP1PDE3B | |
| SCHEMBL21065732 | 0.82 | ESR1 (0.46) | ALDH1A1CYP3A4TP53PDE3BPDE3A | |
| SCHEMBL29947935 | 0.82 | ESR1 (0.46) | ALDH1A1CYP3A4TP53PDE3BPDE3A | |
| SCHEMBL11680776 | 0.78 | MAPT (0.42) | ALDH1A1PDE3BPDE3AKMT2ARAB9A | |
| SCHEMBL11227322 | 0.78 | KMT2A (0.42) | ALDH1A1CYP3A4TDP1KMT2AMEN1 | |
| SCHEMBL8895956 | 0.77 | SLC22A12 (0.43) | CYP3A4PDE3BPDE3AKMT2AMEN1 | |
| SCHEMBL18449598 | 0.76 | CYP3A4 (0.61) | ALDH1A1CYP3A4TP53TDP1PDE3B | |
| SCHEMBL18448794 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TP53TDP1PDE3B | |
| SCHEMBL11220685 | 0.74 | CYP3A4 (0.42) | ALDH1A1CYP3A4TP53TDP1PDE3B | |
| SCHEMBL18448282 | 0.74 | MAOA (0.45) | ALDH1A1CYP3A4TP53TDP1PDE3B |
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 |