Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9477455 | 1.00 | CA1 (0.52) | CA1CA2CA4CA7CYP1A2 | |
| SCHEMBL7311482 | 0.89 | TRPA1 (0.50) | CA1CA2CA4CA7TRPA1 | |
| SCHEMBL819819 | 0.86 | KMT2A (0.44) | CA1CA2CA4CA7CYP1A2 | |
| SCHEMBL822890 | 0.86 | KMT2A (0.44) | CA1CA2CA4CA7CYP1A2 | |
| SCHEMBL1627492 | 0.81 | AKR1C3 (0.57) | TRPA1MEN1ALDH1A1LMNAKMT2A | |
| SCHEMBL1627491 | 0.81 | AKR1C3 (0.57) | TRPA1MEN1ALDH1A1LMNAKMT2A | |
| SCHEMBL3194980 | 0.81 | MAPT (0.55) | CA1CA2CA4CA7CYP1A2 | |
| SCHEMBL11021897 | 0.81 | CA1 (0.43) | CA1CA2CA4CA7TRPA1 | |
| SCHEMBL3183430 | 0.81 | MAPT (0.55) | CA1CA2CA4CA7CYP1A2 | |
| SCHEMBL9475914 | 0.80 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5202330-A | Hypotensive and cardiovascular agent, reduces blood pressure in mammals | E. R. SQUIBB & SONS, INC. (US) | 1993-04-13 | — | — | US | disclosed |
| EP-0204317-A2 | 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters | E.R. Squibb & Sons, Inc. (US) | 1986-12-10 | — | — | EP | disclosed |