Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | HTR5A | P47898 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8920154 | 0.86 | NCOA3 (0.47) | IDO1NCOA3CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL7455193 | 0.82 | IDO1 (0.39) | IDO1CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7463718 | 0.82 | NPC1 (0.44) | IDO1CYP3A4CYP1A2CYP2D6CYP2C19 | |
| Sulfuric Acid SCHEMBL9485614 | 0.81 | NCOA3 (0.50) | IDO1NCOA3HTR5ACYP11B1CYP11B2 | |
| SCHEMBL9077581 | 0.80 | IDO1 (0.47) | IDO1CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9836179 | 0.80 | IDO1 (0.53) | IDO1CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9195882 | 0.80 | HTR5A (0.44) | IDO1NCOA3CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL9078567 | 0.79 | FGFR1 (0.41) | IDO1CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9524640 | 0.78 | SLC9A1 (0.38) | IDO1CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3279905 | 0.78 | CTNNB1 (0.46) | IDO1CYP3A4CYP1A2CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0371564-B1 | (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1995-07-12 | — | — | EP | disclosed |
| US-5151421-A | Compounds for inhibition of metabolism of retinoids, for treatment for proliferation of epithelial cells and keratin disorders | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-09-29 | — | — | US | disclosed |
| US-5028606-A | Retinoid metabolism inhibitors | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-07-02 | — | — | US | disclosed |
| EP-0371564-A2 | (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-06-06 | — | — | EP | disclosed |