Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | PRKACA | P17612 | 1/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.45 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.45 |
| ▸ | PRKX | P51817 | 1/20 | 0.45 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.45 |
| ▸ | PRKG2 | Q13237 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.45 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.45 |
| ▸ | HIPK4 | Q8NE63 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | CTSS | P25774 | 2/20 | 0.42 |
| ▸ | CTSB | P07858 | 2/20 | 0.42 |
| ▸ | CTSV | O60911 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL8926136 | 0.88 | TACR1 (0.47) | CTSLCTSSCTSBCTSVCTSK | |
| SCHEMBL7615213 | 0.82 | MME (0.46) | ROCK2PRKACARPS6KB1IRAK1PRKX | |
| SCHEMBL5036948 | 0.80 | ACACB (0.51) | HTTROCK2PRKACARPS6KB1IRAK1 | |
| SCHEMBL5036248 | 0.80 | ACACB (0.51) | HTTROCK2PRKACARPS6KB1IRAK1 | |
| SCHEMBL8481611 | 0.78 | FPR2 (0.41) | ROCK2PRKACARPS6KB1IRAK1PRKX | |
| SCHEMBL16235149 | 0.72 | CTRB1 (0.56) | HTTROCK2PRKACARPS6KB1IRAK1 | |
| SCHEMBL8925596 | 0.69 | EPHX2 (0.34) | HTTCNR2CNR1KDM4EMEN1 | |
| SCHEMBL13389169 | 0.68 | NPC1 (0.64) | CNR1KDM4EMEN1KMT2ARAB9A | |
| SCHEMBL5033810 | 0.66 | CTRB1 (0.53) | CTSSCTSKRAB9AMMECTRB1 | |
| SCHEMBL5043208 | 0.66 | CTRB1 (0.53) | CTSSCTSKRAB9AMMECTRB1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5646144-A | FOR TREATING DISORDERS IN WHICH SUBSTANCE P PLAYS A PART IN DEVELOPMENT | CIBA-GEIGY CORPORATION (US) | 1997-07-08 | — | — | US | disclosed |
| US-5541195-A | SUBSTANCE P ANTAGONISTS | CIBA-GEIGY CORPORATION (US) | 1996-07-30 | — | — | US | disclosed |
| WO-1995011895-A1 | N-BENZOYL-4-OXY/THIO-2-SUBSTITUTED PIPERIDINES AS SUBSTANCE-P RECEPTOR ANTAGONISTS | CIBA-GEIGY AG (CH) | 1995-05-04 | — | — | WO | disclosed |
| EP-0532456-B1 | 1-Acylpiperidine derivatives and their use as substance P antagonists | CIBA GEIGY AG (CH) | 1995-03-29 | — | — | EP | disclosed |
| US-5310743-A | Substance P antagonist | CIBA-GEIGY CORP. (US) | 1994-05-10 | — | — | US | disclosed |
| EP-0532456-A1 | 1-Acylpiperidine derivatives and their use as substance P antagonists | CIBA-GEIGY AG (CH) | 1993-03-17 | — | — | EP | disclosed |