Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4900797 | 0.74 | MTOR (0.51) | KDM4EALDH1A1KMT2AMEN1 | |
| SCHEMBL5134597 | 0.69 | PIK3CB (0.34) | — | |
| SCHEMBL3122462 | 0.64 | PDE5A (0.36) | KDM4ELMNASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL427541 | 0.64 | ATM (0.68) | CYP1A2CYP3A4CYP2D6KDM4EBLM | |
| SCHEMBL7290182 | 0.64 | CYP1A2 (0.87) | CYP1A2CYP3A4CYP2D6KDM4EBLM | |
| SCHEMBL10118317 | 0.63 | CYP1A2 (0.79) | CYP1A2CYP3A4CYP2D6KDM4EBLM | |
| SCHEMBL7430428 | 0.63 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2D6KDM4EBLM | |
| Ammonia Solution, Strong SCHEMBL10556485 | 0.63 | ATM (0.66) | CYP1A2CYP3A4CYP2D6KDM4EBLM | |
| SCHEMBL10959196 | 0.62 | SIGMAR1 (0.70) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL6575575 | 0.62 | CYP1A2 (0.83) | CYP1A2CYP3A4CYP2D6KDM4EBLM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008071650-A2 | NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES | GALAPAGOS N.V. (BE) | 2008-06-19 | — | — | WO | claimed |
| WO-2008071650-A2 | NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES | GALAPAGOS N.V. (BE) | 2008-06-19 | — | — | WO | disclosed |