Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6290005 | 0.78 | PTPN1 (0.54) | TDP1PTPN1THRATHRBKDM4E | |
| SCHEMBL6293628 | 0.74 | THRA (0.55) | PTPN1THRATHRBKEAP1HDAC2 | |
| SCHEMBL452362 | 0.73 | TDP1 (0.79) | TDP1L3MBTL1ALDH1A1KEAP1HDAC2 | |
| SCHEMBL26244755 | 0.72 | PTPN1 (0.53) | ALDH1A1PTPN1KDM4ETSHRHSD17B10 | |
| SCHEMBL7756384 | 0.72 | PTPN1 (0.53) | ALDH1A1PTPN1KDM4EAKR1C4AKR1C3 | |
| SCHEMBL31596300 | 0.71 | TDP1 (0.76) | TDP1L3MBTL1ALOX5ALDH1A1KEAP1 | |
| SCHEMBL28319819 | 0.71 | KMT2A (0.49) | TDP1L3MBTL1ALOX5ALDH1A1THRA | |
| SCHEMBL19419879 | 0.71 | AKR1C3 (0.53) | ALDH1A1PTPN1KEAP1HDAC2HDAC8 | |
| SCHEMBL6289058 | 0.70 | PTPN1 (0.51) | ALDH1A1PTPN1THRBKDM4ETSHR | |
| SCHEMBL154267 | 0.69 | TDP1 (0.72) | TDP1L3MBTL1ALDH1A1KEAP1GAA |
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 |