Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | MAPT | P10636 | 7/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | BACE1 | P56817 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA6 | P23280 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | TPMT | P51580 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9870146 | 1.00 | CYP2C19 (0.65) | CYP2C19CYP3A4CYP1A2MAPTLMNA | |
| SCHEMBL12922892 | 0.83 | CYP3A4 (0.61) | CYP2C19CYP3A4CYP1A2MAPTLMNA | |
| SCHEMBL9869864 | 0.83 | CYP1A2 (0.58) | CYP2C19CYP3A4CYP1A2LMNAHPGD | |
| SCHEMBL9869860 | 0.83 | CYP1A2 (0.58) | CYP2C19CYP3A4CYP1A2LMNAHPGD | |
| SCHEMBL7997397 | 0.79 | CA12 (0.62) | CYP2C19CYP3A4CYP1A2MAPTLMNA | |
| SCHEMBL14601556 | 0.77 | MAPT (0.53) | CYP2C19CYP3A4CYP1A2MAPTLMNA | |
| SCHEMBL4281872 | 0.76 | CYP1A2 (0.66) | CYP2C19CYP3A4CYP1A2MAPTLMNA | |
| SCHEMBL6409033 | 0.76 | CYP2C9 (0.66) | CYP2C19CYP3A4CYP1A2MAPTLMNA | |
| SCHEMBL783250 | 0.76 | MAPT (1.00) | CYP2C19CYP3A4CYP1A2MAPTLMNA | |
| SCHEMBL805341 | 0.76 | MAPT (1.00) | CYP2C19CYP3A4CYP1A2MAPTLMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5037980-A | Anxiolytic agents, hypotensive agents | AMERICAN CYANAMID COMPANY (US) | 1991-08-06 | — | — | US | disclosed |