Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | GSTP1 | P09211 | 2/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL10918406 | 0.83 | CYP11B1 (0.44) | CYP1A2CYP2A6CYP11B2CYP11B1CYP19A1 | |
| SCHEMBL7033071 | 0.82 | CA4 (0.43) | CYP1A2CYP2A6CYP11B2CYP11B1CYP3A4 | |
| SCHEMBL323109 | 0.81 | DYRK1A (0.49) | CYP1A2CYP2A6CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL2448879 | 0.80 | ESR1 (0.48) | CYP1A2HSD17B1HSD17B2CYP11B2CYP11B1 | |
| SCHEMBL459934 | 0.80 | CA12 (0.44) | CYP1A2HSD17B1HSD17B2CYP3A4CYP2C9 | |
| SCHEMBL28480166 | 0.80 | CYP1A2 (0.53) | CYP1A2CYP2A6HSD17B1HSD17B2CYP11B2 | |
| SCHEMBL8640563 | 0.80 | KAT6A (0.35) | CYP1A2CYP2A6HSD17B1HSD17B2CYP11B2 | |
| SCHEMBL6987825 | 0.79 | CYP1A2 (0.50) | CYP1A2CYP2A6HSD17B1HSD17B2CYP11B2 | |
| SCHEMBL10448704 | 0.79 | CYP2A6 (0.50) | CYP1A2CYP2A6HSD17B1HSD17B2CYP11B2 | |
| SCHEMBL8531326 | 0.79 | LTA4H (0.53) | CYP1A2CYP2A6GSTP1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1051394-A1 | POTASSIUM CHANNEL INHIBITORS | Icagen, Inc. (US) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999037607-A1 | POTASSIUM CHANNEL INHIBITORS | ICAGEN, INC. (US) | 1999-07-29 | — | — | WO | disclosed |
| US-4892887-A | ANTITUMOR | YALE UNIVERSITY (US) | 1990-01-09 | — | — | US | disclosed |
| US-4684747-A | ANTITUMOR, ALKYLATING AGENTS | YALE UNIVERSITY (US) | 1987-08-04 | — | — | US | disclosed |