Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 3/20 | 0.47 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | TTR | P02766 | 2/20 | 0.35 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | PTP4A1 | Q93096 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26244755 | 0.80 | PTPN1 (0.53) | PTPN1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL7756384 | 0.80 | PTPN1 (0.53) | PTPN1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL6289058 | 0.78 | PTPN1 (0.51) | PTPN1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL6290005 | 0.77 | PTPN1 (0.54) | PTPN1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL11085442 | 0.73 | MAOA (0.46) | KMT2AMCL1MAOAMAOBHTT | |
| SCHEMBL29171924 | 0.73 | MEN1 (0.39) | PTPN1KMT2AMEN1TTRALB | |
| SCHEMBL6897446 | 0.72 | ALOX5 (0.53) | PTPN1KMT2AMEN1PTP4A1KDM4E | |
| SCHEMBL1303583 | 0.72 | ERN1 (0.53) | PTPN1KMT2AMEN1TTRALB | |
| SCHEMBL2070725 | 0.71 | AKR1C4 (0.67) | PTPN1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL31497638 | 0.70 | HSD17B10 (0.42) | KDM4EMAPTPOLBALDH1A1LMNA |
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 4 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 |
| CN-1344256-A | (Hetero) aryl-bicyclic heteroaryl derivatives, their prepn. and their use as protease inhibitors | AXYS PHARM INC (US) | 2002-04-10 | — | — | CN | 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 |