Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 4/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13580132 | 0.76 | AOC3 (0.37) | AOC3ALDH1A1 | |
| SCHEMBL18673187 | 0.75 | AOC3 (0.45) | AOC3ACACBCYP3A4HSD17B10TSHR | |
| SCHEMBL18673188 | 0.75 | AOC3 (0.41) | AOC3ACACBCYP3A4HSD17B10TSHR | |
| SCHEMBL2068968 | 0.75 | AOC3 (0.68) | AOC3TSHRKDM4EALOX15ALDH1A1 | |
| SCHEMBL12919390 | 0.71 | SMN1; SMN2 (0.37) | TDP1ALDH1A1RAB9ANPC1MAPT | |
| SCHEMBL18673193 | 0.69 | KDM4E (0.41) | AOC3ACACBCYP3A4HSD17B10KDM4E | |
| SCHEMBL18673216 | 0.69 | KDM4E (0.41) | AOC3ACACBCYP3A4HSD17B10KDM4E | |
| SCHEMBL18673198 | 0.68 | MTNR1A (0.42) | AOC3ACACBCYP3A4HSD17B10TSHR | |
| SCHEMBL18673189 | 0.66 | KCNH2 (0.39) | AOC3ACACBCYP3A4HSD17B10KDM4E | |
| SCHEMBL18673215 | 0.65 | AOC3 (0.43) | AOC3ACACBCYP3A4HSD17B10ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-9603833-B2 | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R-TECH UENO, LTD. (JP) | 2017-03-28 | — | — | US | disclosed |