Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 3/20 | 0.57 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.52 |
| ▸ | IDO1 | P14902 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30818122 | 1.00 | PNMT (0.57) | PNMTTAAR1IDO1SLC6A2HTR2A | |
| Clortermine SCHEMBL164137 | 0.83 | PNMT (0.52) | PNMTTAAR1IDO1SLC6A2HTR2A | |
| Clortermine SCHEMBL30295323 | 0.83 | PNMT (0.52) | PNMTTAAR1IDO1SLC6A2HTR2A | |
| SCHEMBL6686200 | 0.83 | PNMT (0.56) | PNMTTAAR1IDO1SLC6A4ALDH1A1 | |
| Clortermine SCHEMBL266778 | 0.82 | PNMT (0.50) | PNMTTAAR1IDO1SLC6A2HTR2A | |
| Clortermine SCHEMBL30791298 | 0.82 | PNMT (0.50) | PNMTTAAR1IDO1SLC6A2HTR2A | |
| SCHEMBL30818163 | 0.80 | PNMT (0.52) | PNMTTAAR1IDO1SLC6A4ALDH1A1 | |
| SCHEMBL24776448 | 0.77 | PNMT (0.48) | PNMTTAAR1IDO1ALDH1A1KDM4E | |
| SCHEMBL3909520 | 0.76 | PNMT (0.47) | PNMTTAAR1IDO1SLC6A4ALDH1A1 | |
| SCHEMBL9315343 | 0.75 | PNMT (0.56) | PNMTTAAR1IDO1ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0973730-B1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2004-06-16 | — | — | EP | disclosed |
| US-6294531-B1 | AMINOALKANOLS AS BLOOD COAGULANTS | SMITHKLINE BEECHAM CORPORATION | 2001-09-25 | — | — | US | disclosed |
| EP-0973730-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998045255-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-10-15 | — | — | WO | disclosed |