Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KDM1A | O60341 | 2/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8976117 | 1.00 | ALDH1A1 (0.53) | ALDH1A1KDM1AMAOAMAOBKDM4E | |
| SCHEMBL27418792 | 0.84 | CHRNB2 (0.44) | HTTHRH3 | |
| Hydrochloric Acid SCHEMBL27395800 | 0.82 | CHRNB2 (0.42) | HTTHRH3 | |
| Hydrochloric Acid SCHEMBL27284977 | 0.82 | CHRNB2 (0.42) | HTTHRH3 | |
| SCHEMBL1626959 | 0.77 | KMT2A (0.53) | ALDH1A1KDM1AMAOAMAOBKDM4E | |
| SCHEMBL8328961 | 0.74 | TACR1 (0.53) | ALDH1A1KDM1AMAOAMAOBTACR1 | |
| SCHEMBL8328962 | 0.74 | TACR1 (0.53) | ALDH1A1KDM1AMAOAMAOBTACR1 | |
| SCHEMBL8781820 | 0.74 | CHRNB2 (0.49) | — | |
| SCHEMBL8681005 | 0.73 | TACR1 (0.39) | KDM1AMAOAMAOBTACR1 | |
| Hydrochloric Acid SCHEMBL9420087 | 0.72 | TACR1 (0.57) | SIGMAR1TACR1HTR1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5576317-A | NK-1 receptor antagonists and 5HT3 receptor antagonists for the treatment of emesis | PFIZER INC. (US) | 1996-11-19 | — | — | US | disclosed |
| EP-0715855-A2 | NK-1 receptor antagonists and 5HT3 receptor antagonists for the treatment of emesis | PFIZER INC. (US) | 1996-06-12 | — | — | EP | disclosed |