Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5155615 | 0.81 | SLC6A3 (0.35) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL5151651 | 0.77 | KMT2A (0.40) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL5153148 | 0.76 | CA12 (0.44) | SLC6A3SLC6A2SLC6A4DHFRTSHR | |
| SCHEMBL5261467 | 0.73 | SLC6A3 (0.41) | SLC6A3 | |
| SCHEMBL8793479 | 0.73 | SLC6A3 (0.43) | SLC6A3 | |
| SCHEMBL5261463 | 0.73 | SLC6A3 (0.41) | SLC6A3 | |
| SCHEMBL8793471 | 0.73 | SLC6A3 (0.43) | SLC6A3 | |
| SCHEMBL5263085 | 0.72 | SLC6A3 (0.39) | SLC6A3 | |
| SCHEMBL5263091 | 0.72 | SLC6A3 (0.39) | SLC6A3 | |
| SCHEMBL5265369 | 0.72 | SLC6A3 (0.39) | SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1140859-A2 | (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000035886-A2 | (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-06-22 | — | — | WO | disclosed |