Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10438783 | 0.82 | SMN1; SMN2 (0.48) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL6161158 | 0.82 | HDAC1 (0.54) | CYP2C9CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL6163184 | 0.82 | HDAC1 (0.54) | CYP2C9CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL6161162 | 0.82 | HDAC1 (0.54) | CYP2C9CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL6168939 | 0.80 | TRPV1 (0.44) | PTPN2PTPN1TP53 | |
| SCHEMBL6169697 | 0.80 | ROCK2 (0.40) | SMN1; SMN2 | |
| SCHEMBL6167455 | 0.79 | HPGDS (0.47) | NPC1RAB9AMEN1KMT2AHDAC2 | |
| SCHEMBL6163974 | 0.78 | MMP12 (0.46) | MAPTKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL6166677 | 0.78 | PPARG (0.44) | RAB9APTPN2PTPN1 | |
| SCHEMBL6167624 | 0.78 | HDAC2 (0.42) | HDAC2 |
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-0877740-B1 | THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY | ZAMBON SPA (IT) | 2005-03-30 | — | — | EP | claimed |