Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | CASP3 | P42574 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.51 |
| ▸ | FBP1 | P09467 | 3/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | G6PD | P11413 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3491442 | 0.90 | NPC1 (0.58) | NPC1CASP3RAB9ASENP7FBP1 | |
| SCHEMBL18439916 | 0.80 | NPC1 (0.51) | NPC1CASP3RAB9ASENP7FBP1 | |
| SCHEMBL30785680 | 0.80 | NPC1 (0.70) | NPC1CASP3RAB9ASENP7FBP1 | |
| SCHEMBL2957169 | 0.80 | NPC1 (0.70) | NPC1CASP3RAB9ASENP7FBP1 | |
| SCHEMBL2970853 | 0.79 | ALDH1A1 (0.54) | NPC1CASP3RAB9ASENP7FBP1 | |
| SCHEMBL18474450 | 0.77 | RAB9A (0.46) | NPC1CASP3RAB9ASENP7TDO2 | |
| SCHEMBL29655122 | 0.77 | TDP1 (0.65) | NPC1CASP3RAB9ASENP7FBP1 | |
| SCHEMBL27292647 | 0.77 | RAB9A (0.60) | NPC1CASP3RAB9ASENP7FBP1 | |
| SCHEMBL4787667 | 0.76 | MEN1 (0.63) | NPC1CASP3RAB9ASENP7FBP1 | |
| SCHEMBL18438030 | 0.76 | RAB9A (0.49) | NPC1CASP3RAB9ASENP7FBP1 |
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-0825991-B1 | DIARYLDIAMINE DERIVATIVES AND THEIR USE AS DELTA OPIOID (ANT)-AGONISTS | SMITHKLINE BEECHAM SPA (IT) | 2002-02-27 | — | — | EP | disclosed |