Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 4/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6648117 | 1.00 | AR (0.42) | ARPGRMEN1GLAKMT2A | |
| SCHEMBL14975544 | 0.91 | MEN1 (0.39) | ARPGRMEN1GLAKMT2A | |
| SCHEMBL6649153 | 0.88 | AR (0.44) | ARPGRLMNACYP2D6TSHR | |
| SCHEMBL13893984 | 0.81 | HTR2A (0.46) | ARPGRHTR2AHTR2CCHRNB2 | |
| SCHEMBL6649781 | 0.81 | AR (0.42) | ARPGRMEN1KMT2AGAA | |
| SCHEMBL6649479 | 0.78 | MEN1 (0.41) | ARPGRMEN1KMT2AHTR2A | |
| SCHEMBL8140136 | 0.78 | DRD2 (0.42) | ARPGRDRD2DRD4ESR2 | |
| SCHEMBL6648615 | 0.76 | BCHE (0.50) | ARPGRHTR2CBCHE | |
| SCHEMBL19909810 | 0.72 | DRD2 (0.40) | ARDRD2DRD4ESR2TMEM97 | |
| SCHEMBL29519369 | 0.72 | DRD2 (0.40) | ALDH1A1DRD2DRD4ESR2CHRNB2 |
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-6448405-B1 | COUPLING A 2-HALO-5-NITROBENZOIC ACID AND A 2-METHOXYPHENYL BORONIC ACID; CYCLIZING TO A NITROBENZOCOUMARIN; REDUCING TO THE AMINE; CONVERTING TO A COUMARINO(3,4-F)QUINOLINE; REDUCTION TO A 5H-CHROMENO(3,4-F)QUINOLINE | LIGAND PHARMACEUTICALS INCORPORATED | 2002-09-10 | — | — | US | disclosed |