Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.39 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.39 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8070794 | 0.91 | ALDH1A1 (0.51) | ALDH1A1MAPTLMNAGAASMN1; SMN2 | |
| SCHEMBL7544806 | 0.84 | ALDH1A1 (0.61) | ALDH1A1MAPTLMNAGAASMN1; SMN2 | |
| SCHEMBL11296687 | 0.84 | HTR3A (0.46) | ALDH1A1MAPTLMNAGAAOPRL1 | |
| SCHEMBL6582872 | 0.84 | ALDH1A1 (0.56) | ALDH1A1MAPTLMNAGAASMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL27944987 | 0.82 | MAPT (0.39) | ALDH1A1MAPTLMNAGAASMN1; SMN2 | |
| SCHEMBL27046957 | 0.82 | HTR3E (0.51) | ALDH1A1MAPTLMNAGAAOPRL1 | |
| SCHEMBL29728648 | 0.81 | ALDH1A1 (0.53) | ALDH1A1MAPTLMNAGAASMN1; SMN2 | |
| SCHEMBL238269 | 0.81 | ALDH1A1 (0.53) | ALDH1A1MAPTLMNAGAASMN1; SMN2 | |
| SCHEMBL24632626 | 0.78 | ADRB1 (0.50) | ALDH1A1MAPTLMNAGAASMN1; SMN2 | |
| SCHEMBL16514396 | 0.78 | ALDH1A1 (0.57) | ALDH1A1MAPTLMNAGAASMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2665727-A1 | BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES | Abbvie Inc. (US) | 2013-11-27 | — | — | EP | disclosed |
| EP-2665724-A1 | BICYCLIC INHIBITORS OF ALK | AbbVie Inc. (US) | 2013-11-27 | — | — | EP | disclosed |
| WO-2012097684-A1 | BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES | ABBOTT LABORATORIES (US) | 2012-07-26 | — | — | WO | disclosed |
| WO-2012097682-A1 | BICYCLIC INHIBITORS OF ALK | ABBOTT LABORATORIES (US) | 2012-07-26 | — | — | WO | disclosed |