Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.81 |
| ▸ | RAB9A | P51151 | 6/20 | 0.81 |
| ▸ | POLB | P06746 | 3/20 | 0.81 |
| ▸ | HPGD | P15428 | 2/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.64 |
| ▸ | GLA | P06280 | 1/20 | 0.64 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.62 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3365549 | 1.00 | NPC1 (0.81) | NPC1RAB9APOLBHPGDKMT2A | |
| SCHEMBL3365543 | 1.00 | NPC1 (0.81) | NPC1RAB9APOLBHPGDKMT2A | |
| SCHEMBL3369373 | 0.89 | GLA (0.75) | NPC1RAB9APOLBHPGDKMT2A | |
| SCHEMBL3363933 | 0.89 | GLA (0.75) | NPC1RAB9APOLBHPGDKMT2A | |
| SCHEMBL3363939 | 0.89 | GLA (0.75) | NPC1RAB9APOLBHPGDKMT2A | |
| SCHEMBL3365348 | 0.88 | NPC1 (0.77) | NPC1RAB9APOLBKMT2AALDH1A1 | |
| SCHEMBL3365355 | 0.88 | NPC1 (0.77) | NPC1RAB9APOLBKMT2AALDH1A1 | |
| SCHEMBL3366005 | 0.88 | NPC1 (0.77) | NPC1RAB9APOLBKMT2AALDH1A1 | |
| SCHEMBL3363108 | 0.87 | NPC1 (0.78) | NPC1RAB9APOLBKMT2AALDH1A1 | |
| SCHEMBL3363165 | 0.87 | NPC1 (0.78) | NPC1RAB9APOLBKMT2AALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1542970-B1 | PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS | HOFFMANN LA ROCHE (CH) | 2010-06-30 | — | — | EP | disclosed |
| US-7151111-B2 | 4-pyrrolidino-phenyl-benzyl ether derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-12-19 | — | — | US | disclosed |
| EP-1542970-A1 | PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2005-06-22 | — | — | EP | disclosed |
| US-20040116707-A1 | 4-Pyrrolidino-phenyl-benzyl ether derivatives | HOFFMANN-LA ROCHE INC. | 2004-06-17 | — | — | US | disclosed |
| WO-2004026825-A1 | PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2004-04-01 | — | — | WO | disclosed |