Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | PNMT | P11086 | 2/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.38 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8380160 | 0.86 | NPC1 (0.53) | CYP2C9CYP2C19PNMTNPC1RAB9A | |
| SCHEMBL8528165 | 0.83 | MTNR1A (0.49) | CYP2C9CYP2C19PNMTMTNR1ANPC1 | |
| SCHEMBL16709599 | 0.79 | P2RX7 (0.55) | P2RX7 | |
| SCHEMBL28416252 | 0.78 | MTNR1A (0.55) | CYP2C9CYP2C19MTNR1ANPC1RAB9A | |
| SCHEMBL625881 | 0.78 | NPC1 (0.72) | NPC1RAB9APOLBTSHRALDH1A1 | |
| SCHEMBL626345 | 0.76 | CYP2C9 (0.46) | CYP2C9CYP2C19NPC1RAB9APOLB | |
| SCHEMBL16709621 | 0.76 | P2RX7 (0.53) | NPC1RAB9AP2RX7 | |
| SCHEMBL625763 | 0.76 | PNMT (0.75) | PNMTPDCD1LG2CD274 | |
| Hydrochloric Acid SCHEMBL27828047 | 0.75 | CYP2C9 (0.53) | CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL625342 | 0.73 | CYP2C9 (0.55) | CYP2C9CYP2C19NPC1RAB9APOLB |
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 |