Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 4/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | SHBG | P04278 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL16448789 | 0.87 | CYP3A4 (0.44) | CYP3A4TMEM97MAOAMAOBDRD3 | |
| SCHEMBL9749071 | 0.87 | CYP3A4 (0.44) | CYP3A4TMEM97MAOAMAOBDRD3 | |
| Methylamine SCHEMBL27616216 | 0.86 | GRM2 (0.39) | CYP3A4TMEM97MAOAMAOBDRD3 | |
| SCHEMBL13080911 | 0.85 | CYP3A4 (0.43) | CYP3A4TMEM97MAOAMAOBALDH1A1 | |
| SCHEMBL15276009 | 0.84 | CYP3A4 (0.43) | CYP3A4TMEM97MAOAMAOBALDH1A1 | |
| SCHEMBL15153586 | 0.80 | CYP3A4 (0.44) | CYP3A4TMEM97MAOAMAOBESR1 | |
| SCHEMBL9979676 | 0.77 | CYP3A4 (0.40) | CYP3A4TMEM97MAOAMAOBALDH1A1 | |
| SCHEMBL9979637 | 0.76 | PPARG (0.60) | — | |
| SCHEMBL204645 | 0.76 | PPARG (0.60) | — | |
| SCHEMBL3003128 | 0.76 | PPARG (0.60) | — |
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-2953681-B1 | NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS | BOEHRINGER INGELHEIM INT (DE) | 2017-03-15 | — | — | EP | disclosed |