Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.52 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.52 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | LDHA | P00338 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5158784 | 0.91 | ACHE (0.51) | ACHEAKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL3828059 | 0.89 | AKR1C3 (0.65) | ACHEAKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL9250603 | 0.88 | BLM (0.61) | ACHEAKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL9587777 | 0.88 | ACHE (0.47) | ACHEAKR1C3AKR1C2AKR1C1LDHA | |
| SCHEMBL29378424 | 0.88 | ACHE (0.50) | ACHELDHAPPARGPPARDPPARA | |
| Alcohol SCHEMBL17179846 | 0.85 | TSHR (0.58) | ACHEAKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL6369033 | 0.84 | PPARG (0.57) | ACHEAKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL3959294 | 0.84 | PPARG (0.57) | ACHEAKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL6366870 | 0.84 | PPARG (0.57) | ACHEAKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL5194239 | 0.84 | SLC6A4 (0.57) | NPSR1TSHRSLC6A4LMNACA12 |
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-5190946-A | Piperazine compounds restore sensitivity to drug resistant cancer cells | HOFFMANN-LA ROCHE INC. (US) | 1993-03-02 | — | — | US | claimed |
| EP-0443569-A2 | Diamine derivatives and their use in oncology | F. HOFFMANN-LA ROCHE AG (CH) | 1991-08-28 | — | — | EP | claimed |
| US-5190946-A | Piperazine compounds restore sensitivity to drug resistant cancer cells | HOFFMANN-LA ROCHE INC. (US) | 1993-03-02 | — | — | US | disclosed |
| EP-0443569-A2 | Diamine derivatives and their use in oncology | F. HOFFMANN-LA ROCHE AG (CH) | 1991-08-28 | — | — | EP | disclosed |