Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10668141 | 1.00 | CYP2C19 (0.46) | CYP2C19HIF1AALDH1A1TAAR1ALOX15 | |
| SCHEMBL173021 | 0.82 | SMN1; SMN2 (0.46) | CYP2C19HIF1AALDH1A1TAAR1ALOX15 | |
| SCHEMBL3197683 | 0.80 | CYP2C19 (0.48) | CYP2C19HIF1AALDH1A1TAAR1ALOX15 | |
| SCHEMBL3190736 | 0.80 | CYP2C19 (0.48) | CYP2C19HIF1AALDH1A1TAAR1ALOX15 | |
| SCHEMBL11856299 | 0.79 | TSHR (0.54) | CYP2C19ALDH1A1CYP3A4CYP2C9KMT2A | |
| SCHEMBL6492862 | 0.78 | CYP2C19 (0.47) | CYP2C19HIF1AALDH1A1TAAR1ALOX15 | |
| SCHEMBL7192 | 0.78 | CYP2C19 (0.47) | CYP2C19HIF1AALDH1A1TAAR1ALOX15 | |
| SCHEMBL6472876 | 0.78 | CYP2C19 (0.47) | CYP2C19HIF1AALDH1A1TAAR1ALOX15 | |
| SCHEMBL464008 | 0.78 | CYP2C19 (0.47) | CYP2C19HIF1AALDH1A1TAAR1ALOX15 | |
| SCHEMBL124188 | 0.78 | CYP2C19 (0.47) | CYP2C19HIF1AALDH1A1TAAR1ALOX15 |
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-1768966-B1 | COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS | INFINITY DISCOVERY INC (US) | 2012-03-07 | — | — | EP | disclosed |