Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | SNCA | P37840 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.41 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15730582 | 0.81 | MAOA (0.51) | MAOAMAOBALDH1A1TP53PDE3B | |
| SCHEMBL30067792 | 0.79 | TP53 (0.57) | MAOAMAOBALDH1A1TP53PDE3B | |
| SCHEMBL17066902 | 0.79 | TP53 (0.57) | MAOAMAOBALDH1A1TP53PDE3B | |
| SCHEMBL13431421 | 0.78 | BRD4 (0.51) | MAOAMAOBALDH1A1TP53MAPT | |
| SCHEMBL14555907 | 0.78 | MAOB (0.57) | MAOAMAOBALDH1A1TP53PDE3B | |
| SCHEMBL29951858 | 0.78 | MAOA (0.48) | MAOAMAOBALDH1A1TP53PDE3B | |
| SCHEMBL11366500 | 0.78 | TP53 (0.44) | MAOAMAOBALDH1A1TP53PDE3B | |
| SCHEMBL17790196 | 0.78 | TP53 (0.44) | MAOAMAOBALDH1A1TP53PDE3B | |
| SCHEMBL20892268 | 0.77 | ROS1 (0.39) | ALDH1A1CA2CA12CA1CA4 | |
| SCHEMBL27965792 | 0.76 | CYP19A1 (0.41) | MAOAMAOBALDH1A1TP53CDYL2 |
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-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |