Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 3/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.39 |
| ▸ | AVPR2 | P30518 | 10/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27789681 | 0.89 | PDCD1 (0.38) | PDCD1CD274AVPR2ALDH1A1MAPT | |
| SCHEMBL2704506 | 0.88 | AVPR2 (0.44) | PDCD1CD274AVPR2 | |
| SCHEMBL2705389 | 0.84 | AVPR2 (0.42) | PDCD1CD274AVPR2 | |
| SCHEMBL27789677 | 0.84 | PDCD1 (0.38) | PDCD1CD274AVPR2NPC1RAB9A | |
| SCHEMBL2128410 | 0.82 | AVPR2 (0.43) | PDCD1CD274AVPR2 | |
| SCHEMBL18917255 | 0.82 | AVPR2 (0.42) | PDCD1CD274AVPR2 | |
| SCHEMBL27789716 | 0.81 | PDCD1 (0.44) | PDCD1CD274AVPR2 | |
| SCHEMBL2616280 | 0.80 | PDCD1 (0.49) | PDCD1CD274AVPR2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL2129494 | 0.79 | PDCD1 (0.48) | PDCD1CD274AVPR2NPC1RAB9A | |
| SCHEMBL2130987 | 0.77 | AVPR2 (0.51) | PDCD1CD274AVPR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101563347-A | Vasopressin V1a antagonists | VANTIA LTD (GB) | 2009-10-21 | — | — | CN | claimed |