Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GUSB | P08236 | 1/20 | 0.72 |
| ▸ | MAOB | P27338 | 3/20 | 0.68 |
| ▸ | AR | P10275 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 3/20 | 0.66 |
| ▸ | BCHE | P06276 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.64 |
| ▸ | HNF4A | P41235 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.63 |
| ▸ | GAA | P10253 | 2/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.63 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
| ▸ | MYOC | Q99972 | 1/20 | 0.63 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.60 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL6289490 | 1.00 | GUSB (0.72) | GUSBMAOBARMAPTBCHE | |
| SCHEMBL11588431 | 0.89 | MAPT (0.77) | MAPTPTPN1KDM4EGAAMAPK1 | |
| SCHEMBL7598087 | 0.88 | MAPT (0.72) | GUSBMAOBMAPTBCHECYP2C19 | |
| SCHEMBL31233200 | 0.88 | MAPT (0.72) | GUSBMAOBMAPTBCHECYP2C19 | |
| SCHEMBL25212453 | 0.88 | MAPT (0.72) | GUSBMAOBMAPTBCHECYP2C19 | |
| SCHEMBL25194893 | 0.85 | MAPT (0.83) | GUSBMAOBMAPTBCHECYP2C19 | |
| SCHEMBL127853 | 0.84 | GUSB (1.00) | GUSBMAOBARMAPTBCHE | |
| SCHEMBL1373434 | 0.84 | GUSB (1.00) | GUSBMAOBARMAPTBCHE | |
| SCHEMBL5450210 | 0.83 | GUSB (0.74) | GUSBMAOBARMAPTBCHE | |
| SCHEMBL5450213 | 0.83 | GUSB (0.74) | GUSBMAOBARMAPTBCHE |
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 |