Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.50 |
| ▸ | TERT | O14746 | 3/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.41 |
| ▸ | PPARG | P37231 | 3/20 | 0.41 |
| ▸ | PPARD | Q03181 | 3/20 | 0.41 |
| ▸ | PPARA | Q07869 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | FABP4 | P15090 | 2/20 | 0.41 |
| ▸ | F7 | P08709 | 2/20 | 0.41 |
| ▸ | F3 | P13726 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | TOP1 | P11387 | 2/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6571002 | 0.92 | EPHX2 (0.56) | EPHX2TERTPTPN1PPARGPPARD | |
| SCHEMBL1029105 | 0.90 | EPHX2 (0.64) | EPHX2TERTPTPN1PPARGPPARD | |
| SCHEMBL7449007 | 0.84 | EPHX2 (0.49) | EPHX2MAPTBLMHSD17B10ATM | |
| SCHEMBL2946547 | 0.79 | EPHX1 (0.44) | ATMEPHX1 | |
| SCHEMBL7789634 | 0.77 | CTSK (0.55) | LMNACYP1A2CYP2C19RECQLKMT2A | |
| SCHEMBL9956131 | 0.77 | HCAR2 (0.58) | MAPTATMNPSR1EPHX1 | |
| SCHEMBL28397108 | 0.76 | EPHX1 (0.48) | ATMEPHX1 | |
| SCHEMBL6170813 | 0.76 | ACHE (0.39) | EPHX2ATMEPHX1 | |
| SCHEMBL6171676 | 0.76 | EPHX2 (0.40) | EPHX2ATMEPHX1 | |
| SCHEMBL6171271 | 0.76 | HPGD (0.41) | EPHX2ATMEPHX1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011100401-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | WO | disclosed |
| WO-2004026293-A2 | HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS | WYETH HOLDINGS CORPORATION (US) | 2004-04-01 | — | — | WO | disclosed |