Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18711852 | 0.81 | ALDH1A1 (0.42) | CYP1A2TDP1CYP2C9TSHRMEN1 | |
| SCHEMBL6836951 | 0.79 | CYP2C9 (0.40) | CYP1A2TDP1CYP2C9TSHRMEN1 | |
| SCHEMBL5356389 | 0.79 | CYP2C9 (0.40) | CYP1A2TDP1CYP2C9TSHRMEN1 | |
| SCHEMBL16887689 | 0.79 | CYP2C9 (0.40) | CYP1A2TDP1CYP2C9TSHRMEN1 | |
| SCHEMBL23995711 | 0.76 | CYP1A2 (0.38) | CYP1A2TDP1CYP2C9TSHRMEN1 | |
| SCHEMBL18711292 | 0.76 | SMN1; SMN2 (0.39) | CYP1A2TDP1CYP2C9TSHRMEN1 | |
| SCHEMBL18711849 | 0.76 | CYP1A2 (0.41) | CYP1A2TDP1CYP2C9TSHRMEN1 | |
| SCHEMBL26783934 | 0.74 | USP2 (0.60) | CYP1A2TDP1CYP2C9TSHRMEN1 | |
| SCHEMBL18711940 | 0.74 | CYP2D6 (0.38) | CYP1A2TDP1CYP2C9TSHRMEN1 | |
| SCHEMBL15194322 | 0.74 | CYP1A2 (0.43) | CYP1A2TDP1CYP2C9TSHRMEN1 |
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-6281365-B1 | ANTITUMOR AGENTS | AMERICAN CYANAMID COMPANY | 2001-08-28 | — | — | US | disclosed |
| EP-0232784-B1 | (GEM-HETEROCYCLODIMETHANAMINE-N,N')PLATINUM COMPLEXES | AMERICAN CYANAMID COMPANY (US) | 1992-12-02 | — | — | EP | disclosed |
| US-4880790-A | ANTICANCER, ANTITUMOR AGENTS | AMERICAN CYANAMID COMPANY (US) | 1989-11-14 | — | — | US | disclosed |
| EP-0232784-A2 | (Gem-heterocyclodimethanamine-N,N')platinum complexes | AMERICAN CYANAMID COMPANY (US) | 1987-08-19 | — | — | EP | disclosed |