Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.63 |
| ▸ | RAB9A | P51151 | 5/20 | 0.63 |
| ▸ | POLB | P06746 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3365292 | 1.00 | NPC1 (0.63) | NPC1RAB9APOLBKMT2ATSHR | |
| SCHEMBL3366537 | 0.91 | NPC1 (0.61) | NPC1RAB9APOLBKMT2ATSHR | |
| SCHEMBL3366545 | 0.91 | NPC1 (0.61) | NPC1RAB9APOLBKMT2ATSHR | |
| SCHEMBL3367093 | 0.89 | ALDH1A1 (0.66) | NPC1RAB9APOLBKMT2ATSHR | |
| SCHEMBL3367101 | 0.89 | ALDH1A1 (0.66) | NPC1RAB9APOLBKMT2ATSHR | |
| SCHEMBL3365275 | 0.89 | NPC1 (0.78) | NPC1RAB9APOLBKMT2ATSHR | |
| SCHEMBL3363165 | 0.89 | NPC1 (0.78) | NPC1RAB9APOLBKMT2ATSHR | |
| SCHEMBL3363108 | 0.89 | NPC1 (0.78) | NPC1RAB9APOLBKMT2ATSHR | |
| SCHEMBL3365237 | 0.87 | MAOA (0.70) | NPC1RAB9APOLBKMT2ATSHR | |
| SCHEMBL3364207 | 0.87 | MAOA (0.70) | NPC1RAB9APOLBKMT2ATSHR |
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-1542969-B1 | PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS | HOFFMANN LA ROCHE (CH) | 2010-03-03 | — | — | EP | claimed |