Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30366242 | 0.85 | CYP1A2 (0.33) | CYP1A2TSHR | |
| SCHEMBL13367148 | 0.85 | CYP1A2 (0.33) | CYP1A2TSHR | |
| SCHEMBL15352385 | 0.80 | ACHE (0.32) | — | |
| SCHEMBL1690448 | 0.77 | — | — | |
| SCHEMBL1690405 | 0.77 | — | — | |
| SCHEMBL5250986 | 0.77 | NQO1 (0.38) | CYP1A2CYP2A6TSHRTDP2NSD2 | |
| SCHEMBL217935 | 0.75 | — | — | |
| SCHEMBL3456090 | 0.74 | NOS2 (0.43) | CYP1A2CYP2A6TSHRTDP2NSD2 | |
| SCHEMBL1072053 | 0.74 | CYP2A6 (0.43) | CYP1A2CYP2A6TSHR | |
| SCHEMBL3255153 | 0.74 | PGK1 (0.44) | TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4656310-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1987-04-07 | — | — | US | disclosed |
| US-4532355-A | Substituted triaryl phosphonium derivatives | HOFFMANN-LA ROCHE INC. (US) | 1985-07-30 | — | — | US | disclosed |
| US-4319048-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1982-03-09 | — | — | US | disclosed |
| US-4224244-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1980-09-23 | — | — | US | disclosed |
| US-4215215-A | 9-Phenyl-nonate traene compounds | HOFFMANN-LA ROCHE INC. (US) | 1980-07-29 | — | — | US | disclosed |
| US-4105681-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1978-08-08 | — | — | US | disclosed |