Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.67 |
| ▸ | NQO2 | P16083 | 1/20 | 0.55 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.44 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.43 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.43 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL7304418 | 0.82 | PTPN1 (0.59) | PTPN1NQO2TRPM4CYP1A2HSD17B1 | |
| SCHEMBL720292 | 0.80 | PTPN1 (0.57) | PTPN1NQO2TRPM4CYP1A2HSD17B2 | |
| SCHEMBL28996781 | 0.79 | PTPN1 (0.56) | PTPN1NQO2TRPM4CYP1A2HSD17B1 | |
| SCHEMBL20019498 | 0.78 | PTPN1 (0.56) | PTPN1NQO2TRPM4CYP1A2ALDH1A1 | |
| SCHEMBL8222699 | 0.78 | HSD17B1 (0.58) | PTPN1CYP1A2HSD17B1HSD17B2SLC6A2 | |
| SCHEMBL29953443 | 0.77 | MGLL (0.43) | PTPN1P2RX1P2RX4P2RX7P2RX3 | |
| SCHEMBL7670971 | 0.76 | PTPN1 (0.41) | PTPN1CYP1A2P2RX1P2RX4P2RX7 | |
| SCHEMBL31036112 | 0.76 | PTPN1 (0.41) | PTPN1CYP1A2P2RX1P2RX4P2RX7 | |
| SCHEMBL4083639 | 0.76 | ALDH1A1 (0.45) | PTPN1P2RX1P2RX4P2RX7P2RX3 | |
| SCHEMBL7306047 | 0.76 | PTPN1 (0.45) | PTPN1CYP1A2P2RX1P2RX4P2RX7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101006042-A | Chemical compounds | SMITHKLINE BEECHAM CORP (US) | 2007-07-25 | — | — | CN | disclosed |
| US-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |