Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.47 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.47 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6289037 | 0.86 | TACR1 (0.60) | TACR1KMT2AMEN1ALDH1A1HTT | |
| SCHEMBL14672755 | 0.86 | TACR1 (0.60) | TACR1KMT2AMEN1ALDH1A1HTT | |
| SCHEMBL2341547 | 0.81 | TACR1 (0.59) | TACR1KMT2AMEN1ALDH1A1HTT | |
| SCHEMBL5670829 | 0.81 | TACR1 (0.55) | TACR1KMT2AMEN1ALDH1A1HTT | |
| SCHEMBL5340479 | 0.80 | TACR1 (0.54) | TACR1KMT2AMEN1ALDH1A1HTT | |
| SCHEMBL13306937 | 0.79 | TACR1 (0.52) | TACR1KMT2AMEN1ALDH1A1HTT | |
| SCHEMBL19373061 | 0.77 | TACR1 (0.51) | TACR1KMT2AMEN1ALDH1A1HTT | |
| SCHEMBL14521466 | 0.77 | KMT2A (0.57) | TACR1KMT2AMEN1ALDH1A1HTT | |
| SCHEMBL28062787 | 0.77 | TACR1 (0.51) | TACR1KMT2AMEN1ALDH1A1HTT | |
| SCHEMBL13257582 | 0.77 | ALDH1A1 (0.65) | TACR1ALDH1A1POLBERCC1ERCC4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6867200-B1 | (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-15 | — | — | US | disclosed |