Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | RXRA | P19793 | 1/20 | 0.51 |
| ▸ | RXRB | P28702 | 1/20 | 0.51 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.50 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.50 |
| ▸ | KMO | O15229 | 1/20 | 0.49 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30184304 | 0.85 | RXRA (0.68) | AKR1C3KMT2ARXRARXRBNR4A2 | |
| SCHEMBL2878702 | 0.85 | AKR1C3 (0.61) | AKR1C3KMT2ARXRARXRBNR4A2 | |
| SCHEMBL592781 | 0.85 | RXRA (0.68) | AKR1C3KMT2ARXRARXRBNR4A2 | |
| SCHEMBL27608138 | 0.84 | PARP1 (0.64) | KMT2ACES2CES1POLB | |
| SCHEMBL8517905 | 0.84 | AKR1C3 (0.59) | AKR1C3KMT2ARXRARXRBNR4A2 | |
| SCHEMBL28317301 | 0.82 | AKR1C3 (0.58) | AKR1C3KMT2ARXRARXRBNR4A2 | |
| SCHEMBL2931454 | 0.81 | AKR1C3 (0.56) | AKR1C3KMT2ARXRARXRBNR4A2 | |
| SCHEMBL27935297 | 0.79 | AKR1C3 (0.63) | AKR1C3KMT2ANR4A2FOLH1KMO | |
| SCHEMBL6623075 | 0.79 | AKR1C3 (0.54) | AKR1C3KMT2ARXRARXRBNR4A2 | |
| SCHEMBL11040664 | 0.79 | KMT2A (0.61) | AKR1C3KMT2ARXRARXRBNR4A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0579223-B1 | Carboxylic acid derivatives having 5 alpha-reductase inhibitory activity | MITSUBISHI CHEM CORP (JP) | 1996-10-09 | — | — | EP | disclosed |
| US-5385917-A | Treating androgen dependent diseases | MITSUBISHI KASEI CORPORATION (JP) | 1995-01-31 | — | — | US | disclosed |
| EP-0579223-A1 | Carboxylic acid derivatives having 5 alpha-reductase inhibitory activity | Mitsubishi Chemical Corporation (JP) | 1994-01-19 | — | — | EP | disclosed |