Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.34 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.33 |
| ▸ | FBP1 | P09467 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28002943 | 0.76 | TDP1 (0.43) | ALDH1A1TSHRTDP1MAPK1VCAM1 | |
| SCHEMBL5747018 | 0.76 | TDP1 (0.50) | ALDH1A1TSHRTDP1MAPK1VCAM1 | |
| SCHEMBL273405 | 0.75 | TDP1 (0.60) | ALDH1A1TSHRTDP1MAPK1VCAM1 | |
| SCHEMBL11049111 | 0.74 | TSHR (0.41) | ALDH1A1TSHRTDP1MAPK1VCAM1 | |
| SCHEMBL13836217 | 0.73 | TDP1 (0.50) | ALDH1A1TSHRTDP1MAPK1GPR35 | |
| SCHEMBL27670471 | 0.73 | TDP1 (0.41) | ALDH1A1TSHRTDP1MAPK1VCAM1 | |
| SCHEMBL14160013 | 0.72 | TDP1 (0.43) | ALDH1A1TSHRTDP1MAPK1VCAM1 | |
| SCHEMBL31170851 | 0.72 | TDP1 (0.43) | ALDH1A1TSHRTDP1MAPK1VCAM1 | |
| SCHEMBL5681342 | 0.71 | ALDH1A1 (0.51) | ALDH1A1TSHRTDP1MAPK1GPR35 | |
| SCHEMBL514833 | 0.71 | GPR35 (0.58) | ALDH1A1TSHRTDP1GPR35 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101119993-B | Aminophenyl derivatives as selective androgen receptor modulators | ACADIA PHARM INC | 2015-03-04 | — | — | CN | disclosed |