Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.54 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | TMEM97 | Q5BJF2 | 5/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.53 |
| ▸ | PLK1 | P53350 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 2/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10076245 | 0.87 | ALDH1A1 (0.66) | ALDH1A1LMNASLC22A2SLC22A1TSHR | |
| SCHEMBL12845484 | 0.86 | LMNA (0.72) | ALDH1A1LMNASLC22A2SLC22A1TSHR | |
| SCHEMBL11966131 | 0.86 | LMNA (0.58) | ALDH1A1LMNASLC22A2SLC22A1TSHR | |
| SCHEMBL17688292 | 0.85 | ALDH1A1 (0.62) | ALDH1A1LMNASLC22A2SLC22A1TSHR | |
| SCHEMBL14370083 | 0.83 | TMEM97 (0.59) | ALDH1A1LMNASLC22A2SLC22A1TSHR | |
| SCHEMBL14947438 | 0.81 | HPGD (0.67) | ALDH1A1TMEM97SIGMAR1PLK1POLB | |
| SCHEMBL8128025 | 0.81 | ALDH1A1 (0.50) | ALDH1A1LMNASLC22A2SLC22A1TSHR | |
| SCHEMBL8404684 | 0.80 | ALDH1A1 (0.56) | ALDH1A1LMNASLC22A2SLC22A1TSHR | |
| SCHEMBL6360077 | 0.80 | PLK1 (0.63) | ALDH1A1LMNAMAPK1PLK1 | |
| SCHEMBL3322603 | 0.80 | KDM4E (0.69) | ALDH1A1LMNASLC22A2SLC22A1TSHR |
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-7279469-B2 | Diaminotriazoles useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-10-09 | — | — | US | disclosed |