Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 7/20 | 0.49 |
| ▸ | AKR1B10 | O60218 | 4/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7910941 | 1.00 | NR1H4 (0.49) | NR1H4AKR1B10AKR1B1KDM4EALDH1A1 | |
| SCHEMBL18572547 | 0.89 | NR1H4 (0.49) | NR1H4AKR1B10AKR1B1KDM4EALDH1A1 | |
| SCHEMBL17500232 | 0.87 | NR1H4 (0.51) | NR1H4AKR1B10AKR1B1KDM4EALDH1A1 | |
| SCHEMBL17500223 | 0.87 | NR1H4 (0.51) | NR1H4AKR1B10AKR1B1KDM4EALDH1A1 | |
| SCHEMBL27645996 | 0.87 | NR1H4 (0.48) | NR1H4AKR1B10AKR1B1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL3937294 | 0.86 | NR1H4 (0.48) | NR1H4AKR1B10AKR1B1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL3937287 | 0.86 | NR1H4 (0.48) | NR1H4AKR1B10AKR1B1KDM4EALDH1A1 | |
| SCHEMBL4679564 | 0.86 | NR1H4 (0.50) | NR1H4AKR1B10AKR1B1KDM4EALDH1A1 | |
| SCHEMBL4679570 | 0.86 | NR1H4 (0.50) | NR1H4AKR1B10AKR1B1KDM4EALDH1A1 | |
| SCHEMBL3295979 | 0.84 | TTR (0.54) | NR1H4AKR1B10AKR1B1KDM4EALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102482233-A | Novel pyrimidine derivatives and their use in the treatment of cancer and other diseases | ASTRAZENECA AB SE | 2012-05-30 | — | — | CN | disclosed |
| US-6211234-B1 | BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID | RHONE-POULENC RORER LIMITED (GB) | 2001-04-03 | — | — | US | disclosed |
| EP-0728128-B1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE POULENC RORER LTD (GB) | 1998-09-16 | — | — | EP | disclosed |
| EP-0728128-A1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE-POULENC RORER LIMITED (GB) | 1996-08-28 | — | — | EP | disclosed |
| WO-1995013262-A1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE-POULENC RORER LIMITED (GB) | 1995-05-18 | — | — | WO | disclosed |