Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.34 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.34 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KLK1 | P06870 | 2/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10070603 | 0.81 | EPHX2 (0.36) | NPC1RAB9AEPHX2F2NR1H4 | |
| SCHEMBL626586 | 0.76 | CYP2C9 (0.58) | CYP2C9CYP2C19NPC1RAB9AEPHX2 | |
| SCHEMBL624764 | 0.76 | CYP2C9 (0.58) | CYP2C9CYP2C19NPC1RAB9AEPHX2 | |
| SCHEMBL625326 | 0.76 | CYP2C9 (0.49) | CYP2C9CYP2C19NPC1RAB9APOLB | |
| Hydrochloric Acid SCHEMBL27828047 | 0.76 | CYP2C9 (0.53) | CYP2C9CYP2C19EPHX2F2ALDH1A1 | |
| SCHEMBL626553 | 0.74 | PNMT (0.50) | CYP2C9CYP2C19MAPK1 | |
| SCHEMBL8528165 | 0.73 | MTNR1A (0.49) | CYP2C9CYP2C19NPC1RAB9APOLB | |
| SCHEMBL625881 | 0.72 | NPC1 (0.72) | NPC1RAB9APOLBALDH1A1TSHR | |
| SCHEMBL13178811 | 0.69 | KMT2A (0.41) | CYP2C9CYP2C19POLBALDH1A1LMNA | |
| SCHEMBL11269628 | 0.69 | KMT2A (0.55) | CYP2C19NPC1RAB9AALDH1A1TP53 |
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-2012020220-A1 | COMPOUNDS | NOVACTA BIOSYSTEMS LIMITED (GB) | 2012-02-16 | — | — | WO | claimed |
| WO-2012020220-A1 | COMPOUNDS | NOVACTA BIOSYSTEMS LIMITED (GB) | 2012-02-16 | — | — | WO | disclosed |