Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.34 |
| ▸ | GPR139 | Q6DWJ6 | 2/20 | 0.32 |
| ▸ | VNN1 | O95497 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6996088 | 0.81 | SLC6A2 (0.41) | SLC6A3CYP2D6SLC6A2SLC6A4CYP3A4 | |
| SCHEMBL7497059 | 0.78 | SPPL2A (0.35) | SLC6A3CYP2D6SLC6A2SLC6A4CYP3A4 | |
| SCHEMBL12497714 | 0.74 | PNMT (0.34) | SLC6A3CYP2D6SLC6A2SLC6A4CYP3A4 | |
| SCHEMBL27479102 | 0.73 | CYP3A4 (0.30) | SLC6A3CYP2D6SLC6A2SLC6A4CYP3A4 | |
| SCHEMBL4026252 | 0.72 | AKR1C3 (0.41) | ALDH1A1LMNASMN1; SMN2HTTCYP26A1 | |
| SCHEMBL6994755 | 0.71 | S1PR3 (0.31) | — | |
| SCHEMBL6595638 | 0.71 | SLC6A2 (0.38) | SLC6A3CYP2D6SLC6A2SLC6A4CYP3A4 | |
| SCHEMBL7502127 | 0.70 | S1PR3 (0.30) | — | |
| SCHEMBL6663255 | 0.70 | CYP3A4 (0.41) | SMN1; SMN2GPR139SLC6A3HPGDSLC6A2 | |
| SCHEMBL6663261 | 0.70 | CYP3A4 (0.41) | SMN1; SMN2GPR139SLC6A3HPGDSLC6A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6448247-B1 | TACHYKININ RECEPTOR ANTAGONIST; ESPECIALLY TO THE RECEPTORS FOR SUBSTANCE P (WHICH RECEPTORS ARE GENERALLY REFERRED TO AS ?NEUROKININ 1 RECEPTORS?) | SANKYO COMPANY, LIMITED (JP) | 2002-09-10 | — | — | US | disclosed |
| EP-0776893-B1 | Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 | SANKYO CO (JP) | 2002-02-27 | — | — | EP | disclosed |
| US-6159967-A | Heterocyclic compounds having tachykinin receptor antagonist activity their preparation and their use | SANKYO COMPANY, LIMITED (JP) | 2000-12-12 | — | — | US | disclosed |
| EP-0776893-A1 | Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 | SANKYO COMPANY LIMITED (JP) | 1997-06-04 | — | — | EP | disclosed |