Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ADH1B | P00325 | 1/20 | 0.35 |
| ▸ | ADH1C | P00326 | 1/20 | 0.35 |
| ▸ | ADH1A | P07327 | 1/20 | 0.35 |
| ▸ | ADH4 | P08319 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22821763 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4 | |
| SCHEMBL24915205 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4 | |
| SCHEMBL24910117 | 0.97 | ALDH1A1 (0.47) | ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4 | |
| SCHEMBL23697414 | 0.92 | ALDH1A1 (0.42) | ALDH1A1HSD17B10SIGMAR1EPHX1SMN1; SMN2 | |
| SCHEMBL26355434 | 0.92 | ALDH1A1 (0.42) | ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4 | |
| SCHEMBL255831 | 0.89 | ALDH1A1 (0.44) | ALDH1A1HSD17B10SIGMAR1EPHX1 | |
| SCHEMBL19825851 | 0.89 | ALDH1A1 (0.44) | ALDH1A1HSD17B10SIGMAR1EPHX1 | |
| SCHEMBL1485899 | 0.88 | ALDH1A1 (0.53) | ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4 | |
| SCHEMBL8918 | 0.88 | — | — | |
| SCHEMBL13166298 | 0.88 | ALDH1A1 (0.53) | ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4119165-A1 | NOVEL 3,5-DIAMINOBENZOIC ACID COMPOUND, AND PIN1 INHIBITOR AND THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES USING SAME | Hiroshima University (JP) | 2023-01-18 | — | — | EP | disclosed |