Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 4/20 | 0.55 |
| ▸ | PBRM1 | Q86U86 | 2/20 | 0.36 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.32 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4172430 | 0.71 | PGR (1.00) | PGRMAPTTDP1ALDH1A1KDM4E | |
| SCHEMBL7644599 | 0.66 | BRPF1 (0.44) | PBRM1CREBBPTDP1ALDH1A1KDM4E | |
| SCHEMBL30864779 | 0.66 | BRPF1 (0.44) | PBRM1CREBBPTDP1ALDH1A1KDM4E | |
| SCHEMBL10716838 | 0.65 | MAOA (0.52) | PGRPBRM1SMARCA2SMARCA4MAPT | |
| SCHEMBL8669578 | 0.64 | MEN1 (0.55) | PGRMAPTMAPK1TDP1ALDH1A1 | |
| SCHEMBL760904 | 0.64 | ADORA2A (0.57) | MAPTMAPK1TDP1ALDH1A1KDM4E | |
| SCHEMBL6647667 | 0.64 | PGR (0.50) | PGRMAPTMAPK1TDP1ALDH1A1 | |
| SCHEMBL8916299 | 0.64 | MAPT (0.54) | PGRMAPTMAPK1TDP1ALDH1A1 | |
| SCHEMBL13487412 | 0.62 | CA1 (0.52) | PGRMAPTMAPK1TDP1ALDH1A1 | |
| SCHEMBL31158628 | 0.61 | PBRM1 (0.49) | PBRM1SMARCA2SMARCA4CREBBPMEN1 |
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 |