Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.54 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.43 |
| ▸ | ADH1B | P00325 | 2/20 | 0.43 |
| ▸ | ADH1A | P07327 | 2/20 | 0.43 |
| ▸ | ADH7 | P40394 | 2/20 | 0.43 |
| ▸ | ADH1C | P00326 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2639821 | 1.00 | TSHR (0.65) | TSHRALDH1A1CYP2C19CYP1A2MEN1 | |
| Hydrochloric Acid SCHEMBL8011029 | 0.97 | TSHR (0.61) | TSHRALDH1A1CYP2C19CYP1A2MEN1 | |
| SCHEMBL7512916 | 0.97 | TSHR (0.69) | TSHRALDH1A1CYP2C19CYP1A2MEN1 | |
| SCHEMBL1248078 | 0.97 | TSHR (0.69) | TSHRALDH1A1CYP2C19CYP1A2MEN1 | |
| SCHEMBL11508173 | 0.97 | TSHR (0.69) | TSHRALDH1A1CYP2C19CYP1A2MEN1 | |
| SCHEMBL1781797 | 0.97 | TSHR (0.69) | TSHRALDH1A1CYP2C19CYP1A2MEN1 | |
| SCHEMBL11508516 | 0.97 | TSHR (0.69) | TSHRALDH1A1CYP2C19CYP1A2MEN1 | |
| SCHEMBL4211605 | 0.97 | TSHR (0.69) | TSHRALDH1A1CYP2C19CYP1A2MEN1 | |
| SCHEMBL30744262 | 0.97 | TSHR (0.69) | TSHRALDH1A1CYP2C19CYP1A2MEN1 | |
| SCHEMBL7513630 | 0.97 | TSHR (0.69) | TSHRALDH1A1CYP2C19CYP1A2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0311068-B1 | Polyamine derivatives as antineoplastic agents | MERRELL DOW PHARMA (US) | 1994-03-30 | — | — | EP | claimed |
| US-5654484-A | Polyamine derivatives as antineoplastic agents | MERRELL PHARMACEUTICALS INC. (US) | 1997-08-05 | — | — | US | disclosed |