Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL6467665 | 0.80 | AR (0.34) | TDP1KMT2ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL7535457 | 0.74 | ALDH1A1 (0.35) | KMT2ASMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL14759859 | 0.59 | P2RX7 (0.48) | TDP1KMT2AALDH1A1L3MBTL1 | |
| SCHEMBL12500526 | 0.58 | P2RX7 (0.44) | TDP1KMT2AALDH1A1L3MBTL1 | |
| SCHEMBL4182412 | 0.58 | TDP1 (0.47) | TDP1KMT2ASMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL24811590 | 0.58 | SMN1; SMN2 (0.41) | TDP1KMT2ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL1272532 | 0.58 | CYP1A2 (0.54) | TDP1KMT2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6468654 | 0.58 | HTT (0.41) | KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL18255993 | 0.57 | P2RX7 (0.49) | KMT2AALDH1A1L3MBTL1 | |
| SCHEMBL5013527 | 0.57 | CYP1A2 (0.43) | TDP1KMT2ACYP1A2CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1516877-A1 | Amine derivatives as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-23 | — | — | EP | disclosed |