Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9566772 | 0.88 | ALDH1A1 (0.38) | ALDH1A1F2GLAHPGD | |
| SCHEMBL1059319 | 0.87 | ALDH1A1 (0.44) | ALDH1A1F2GLAHPGDPOLB | |
| SCHEMBL9263293 | 0.85 | ALDH1A1 (0.50) | ALDH1A1HPGDLMNAMAPTKDM4E | |
| SCHEMBL3300820 | 0.84 | PDE3B (0.42) | ALDH1A1MAPTHTTGAA | |
| SCHEMBL103271 | 0.83 | ACACB (0.45) | ALDH1A1POLB | |
| SCHEMBL8170006 | 0.83 | ALDH1A1 (0.46) | ALDH1A1LMNAMAPTCYP2C9TSHR | |
| SCHEMBL509590 | 0.81 | ALDH1A1 (0.47) | ALDH1A1HPGDOPRK1NPC1RAB9A | |
| SCHEMBL11100510 | 0.81 | ALDH1A1 (0.45) | ALDH1A1F2GLAHPGDLMNA | |
| SCHEMBL27544708 | 0.81 | ALDH1A1 (0.45) | ALDH1A1F2GLAHPGDLMNA | |
| SCHEMBL7410889 | 0.81 | ESR1 (0.45) | ALDH1A1LMNACYP3A4ESR1NPC1 |
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-4260620-A | HYPOTENSIVE AGENTS | CIBA-GEIGY CORPORATION (US) | 1981-04-07 | — | — | US | disclosed |
| US-4202901-A | HYPOTENSIVE AGENTS | CIBA-GEIGY CORPORATION (US) | 1980-05-13 | — | — | US | disclosed |
| US-4197302-A | HYPOTENSIVE AGENTS, 5-ETHERIFIED, ALSO ESTERS, AMIDES, HYDRAZIDES | CIBA-GEIGY CORPORATION (US) | 1980-04-08 | — | — | US | disclosed |