Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.40 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL22305967 | 0.80 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL7070454 | 0.78 | KMT2A (0.38) | ALDH1A1MEN1KMT2AHSD17B10TDP1 | |
| SCHEMBL7070187 | 0.75 | MEN1 (0.42) | ALDH1A1CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL19318751 | 0.70 | GAA (0.54) | ALDH1A1MEN1KMT2APOLBGAA | |
| SCHEMBL9820117 | 0.70 | ALDH1A1 (0.59) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL16221401 | 0.70 | TDP1 (0.76) | ALDH1A1MEN1KMT2AHSD17B10TDP1 | |
| SCHEMBL21494752 | 0.69 | KMT2A (0.47) | ALDH1A1MEN1KMT2ATDP1POLB | |
| SCHEMBL7148200 | 0.69 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL25654792 | 0.69 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL25654790 | 0.68 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0724566-A1 | 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-08-07 | — | — | EP | disclosed |
| WO-1995030656-A1 | SUBSTITUTED CYCLOPENTADIENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | disclosed |
| WO-1995011883-A1 | 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-05-04 | — | — | WO | disclosed |