Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.55 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTR7 | P34969 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2491432 | 0.80 | PLOD2 (0.69) | NPC1RAB9APTPN1PLOD2MAPT | |
| SCHEMBL13838823 | 0.79 | NPC1 (0.61) | NPC1RAB9APTPN1PLOD2MAPT | |
| SCHEMBL2299475 | 0.79 | NPC1 (0.55) | NPC1RAB9APTPN1PLOD2MAPT | |
| SCHEMBL1266504 | 0.78 | NPC1 (0.64) | NPC1RAB9APTPN1PLOD2MAPT | |
| Hydrochloric Acid SCHEMBL3856160 | 0.78 | NPC1 (0.53) | NPC1RAB9APTPN1PLOD2MAPT | |
| SCHEMBL15973607 | 0.78 | MAPT (0.58) | NPC1RAB9APTPN1PLOD2MAPT | |
| Hydrochloric Acid SCHEMBL10472529 | 0.78 | NPC1 (0.53) | NPC1RAB9APTPN1PLOD2MAPT | |
| SCHEMBL15020831 | 0.78 | ALDH1A1 (0.56) | NPC1RAB9APTPN1PLOD2MAPT | |
| SCHEMBL19022048 | 0.77 | NPC1 (0.69) | NPC1RAB9APTPN1PLOD2ALDH1A1 | |
| SCHEMBL7440297 | 0.76 | KMT2A (0.54) | NPC1RAB9APTPN1PLOD2MAPT |
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 |