Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GART | P22102 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 13/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7049143 | 0.92 | HTT (0.34) | HTTATMCTSSCYP3A4CYP2C9 | |
| SCHEMBL6464414 | 0.90 | FAAH (0.38) | GARTCTSSCYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL6467381 | 0.88 | CTSS (0.36) | HTTCTSSCYP3A4CYP2C9MEN1 | |
| SCHEMBL7044345 | 0.87 | CTSS (0.39) | HTTCTSSCYP3A4CYP2C9MEN1 | |
| SCHEMBL6468407 | 0.82 | EPHX2 (0.38) | GARTCTSSCYP3A4CYP2C9NPC1 | |
| SCHEMBL6465945 | 0.81 | CTSS (0.33) | GARTCTSSCYP3A4CYP2C9EPHX2 | |
| SCHEMBL7049525 | 0.81 | GART (0.38) | GARTCTSSCYP3A4CYP2C9KDM4E | |
| SCHEMBL6465509 | 0.80 | LMNA (0.46) | HTTCTSSCYP3A4KMT2AKDM4E | |
| SCHEMBL7043377 | 0.80 | NPC1 (0.36) | GARTCTSSCYP3A4CYP2C9NPC1 | |
| SCHEMBL7179327 | 0.79 | LMNA (0.38) | HTTCTSSCYP3A4CYP2C9ALDH1A1 |
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 |