Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.62 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.62 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.52 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.52 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.52 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.52 |
| ▸ | CTSV | O60911 | 4/20 | 0.48 |
| ▸ | CTSL | P07711 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MYC | P01106 | 2/20 | 0.47 |
| ▸ | MAX | P61244 | 1/20 | 0.47 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.45 |
| ▸ | CDC25B | P30305 | 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 | |
|---|---|---|---|---|
| SCHEMBL8391099 | 0.84 | AKR1C3 (0.71) | AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1 | |
| SCHEMBL9183441 | 0.84 | MEN1 (0.52) | AKR1B1CTSVCTSLMEN1KMT2A | |
| SCHEMBL9185336 | 0.75 | NPC1 (0.51) | AKR1B1MEN1KMT2APARP15PARP10 | |
| SCHEMBL810591 | 0.75 | NPC1 (0.51) | AKR1B1MEN1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL16712561 | 0.74 | AKR1C3 (0.56) | AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1 | |
| SCHEMBL16712560 | 0.74 | AKR1C3 (0.56) | AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1 | |
| SCHEMBL1688337 | 0.72 | AKR1C3 (0.69) | AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1 | |
| SCHEMBL18667006 | 0.72 | HCAR3 (0.72) | AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1 | |
| SCHEMBL453183 | 0.72 | AKR1C3 (0.68) | AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1 | |
| SCHEMBL23567 | 0.71 | AKR1C3 (0.67) | AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5420123-A | Dibenzodiazepine endothelin antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-05-30 | — | — | US | disclosed |