Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 4/20 | 0.60 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.58 |
| ▸ | PPARG | P37231 | 3/20 | 0.53 |
| ▸ | TTR | P02766 | 2/20 | 0.50 |
| ▸ | KMO | O15229 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15010998 | 0.88 | TTR (0.54) | MRGPRX4AKR1C3PPARGTTRKMT2A | |
| SCHEMBL29103540 | 0.85 | MRGPRX4 (0.74) | MRGPRX4AKR1C3PPARGTTRKMO | |
| SCHEMBL30740807 | 0.85 | MRGPRX4 (0.74) | MRGPRX4AKR1C3PPARGTTRKMO | |
| SCHEMBL27108465 | 0.85 | MRGPRX4 (0.62) | MRGPRX4AKR1C3PPARGTTRKMO | |
| SCHEMBL2854877 | 0.84 | AKR1C3 (0.67) | MRGPRX4AKR1C3PPARGTTRKMO | |
| SCHEMBL2857675 | 0.82 | AKR1C3 (0.73) | MRGPRX4AKR1C3PPARGKMOKMT2A | |
| SCHEMBL3507403 | 0.81 | KDM4E (0.67) | MRGPRX4AKR1C3TTRKMT2APOLB | |
| SCHEMBL2867826 | 0.81 | AKR1C3 (0.77) | MRGPRX4AKR1C3PPARGKMOKMT2A | |
| SCHEMBL10148365 | 0.81 | TTR (0.69) | MRGPRX4AKR1C3TTRPOLBRAB9A | |
| SCHEMBL12195197 | 0.80 | ALDH1A1 (0.58) | — |
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 |