Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 13/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 12/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | TSHR | P16473 | 6/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 6/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13765813 | 0.79 | CYP3A4 (0.32) | CYP3A4CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL13771964 | 0.78 | PDE4A (0.35) | CYP3A4CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL13225322 | 0.70 | — | — | |
| SCHEMBL27953451 | 0.69 | — | — | |
| SCHEMBL26958759 | 0.68 | CYP1A2 (0.39) | CYP3A4CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL16091003 | 0.66 | KDM4E (0.42) | CYP3A4CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL16090918 | 0.65 | TP53 (0.47) | CYP3A4CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL18360739 | 0.64 | CYP3A4 (0.39) | CYP3A4CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL11287500 | 0.64 | CYP3A4 (0.39) | CYP3A4CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL30143994 | 0.63 | NPSR1 (0.45) | CYP3A4ALDH1A1TDP1KDM4EMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9090561-B2 | Acetylenic heteroaryl compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-8461167-B2 | Acetylenic heteroaryl compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2013-06-11 | — | — | US | disclosed |