Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL628733 | 0.96 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRTDP1CA2 | |
| SCHEMBL627254 | 0.96 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRTDP1CA2 | |
| SCHEMBL16232790 | 0.92 | ALDH1A1 (0.45) | ALDH1A1CYP3A4TSHRTDP1CA2 | |
| SCHEMBL4366899 | 0.91 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRTDP1CA2 | |
| SCHEMBL4371967 | 0.91 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRTDP1CA2 | |
| SCHEMBL11505039 | 0.90 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TSHRTDP1CA2 | |
| SCHEMBL10519378 | 0.88 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHRTDP1CA2 | |
| SCHEMBL4368563 | 0.88 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHRTDP1CA2 | |
| SCHEMBL10890232 | 0.88 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHRTDP1CA2 | |
| SCHEMBL166842 | 0.84 | ALDH1A1 (0.58) | ALDH1A1CYP3A4TSHRTDP1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5672766-A | REACTING OLEFIN WITH CARBON MONOXIDE AND HYDROGEN IN THE PRESENCE OF A RHODIUM COMPLEX CATALYST | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-09-30 | — | — | US | disclosed |