Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | MMP13 | P45452 | 1/20 | 0.52 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL17498767 | 1.00 | HDAC1 (0.56) | HDAC1HDAC8HDAC6CYP1A1CYP1A2 | |
| SCHEMBL17498778 | 0.90 | HDAC1 (0.55) | HDAC1HDAC8HDAC6CYP1A1CYP1A2 | |
| SCHEMBL16148274 | 0.89 | HDAC1 (0.55) | HDAC1HDAC8HDAC6CYP1A2KDM4E | |
| SCHEMBL17498819 | 0.87 | HDAC1 (0.50) | HDAC1HDAC8HDAC6CYP1A2KDM4E | |
| SCHEMBL16148053 | 0.87 | MMP2 (0.66) | HDAC1HDAC8HDAC6CYP1A2KDM4E | |
| SCHEMBL17498814 | 0.86 | HDAC1 (0.57) | HDAC1HDAC8HDAC6KDM4EKMT2A | |
| SCHEMBL17498785 | 0.85 | HDAC1 (0.59) | HDAC1HDAC8HDAC6KDM4EKMT2A | |
| SCHEMBL16147445 | 0.85 | HDAC1 (0.48) | HDAC1HDAC8HDAC6KDM4EKMT2A | |
| SCHEMBL17498792 | 0.85 | HDAC1 (0.59) | HDAC1HDAC8HDAC6KDM4EKMT2A | |
| SCHEMBL16147450 | 0.85 | HDAC1 (0.48) | HDAC1HDAC8HDAC6KDM4EKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3514147-A1 | STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY | University of Maryland, Baltimore (US) | 2019-07-24 | — | — | EP | disclosed |