Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.57 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.57 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.57 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.46 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.46 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL8068963 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CYP2A6CYP2B6CYP2E1SLC22A2 | |
| Biphenyl SCHEMBL15656401 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CYP2A6CYP2B6CYP2E1SLC22A2 | |
| Thiophene SCHEMBL27514433 | 0.97 | ALDH1A1 (0.56) | ALDH1A1CYP2A6CYP2B6CYP2E1SLC22A2 | |
| Tannin Pyrogallol SCHEMBL28557820 | 0.97 | ALDH1A1 (0.56) | ALDH1A1CYP2A6CYP2B6CYP2E1SLC22A2 | |
| SCHEMBL28887815 | 0.94 | CYP2A6 (0.67) | ALDH1A1CYP2A6CYP2B6CYP2E1SLC22A2 | |
| Thiophene SCHEMBL9437674 | 0.91 | ALDH1A1 (0.50) | ALDH1A1CYP2A6CYP2B6CYP2E1SLC22A2 | |
| Biphenyl SCHEMBL27397505 | 0.89 | CYP2E1 (0.48) | ALDH1A1CYP2A6CYP2B6CYP2E1SLC22A2 | |
| Thiophene SCHEMBL8657478 | 0.86 | CYP2E1 (0.41) | ALDH1A1CYP2A6CYP2B6CYP2E1SLC22A2 | |
| Thiophene SCHEMBL29118165 | 0.84 | ALDH1A1 (0.71) | ALDH1A1CYP2A6CYP2B6CYP2E1SLC22A2 | |
| Thiophene SCHEMBL27799989 | 0.84 | MMP3 (0.71) | CYP2A6CYP2B6CYP2E1TDP1MMP3 |
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-2518075-B1 | INDUCED LAYER MATERIAL FOR PREPARING NON-PLANAR METAL PHTHALOCYANINE WEAK EPITAXY GROWTH THIN FILM | CHANGCHUN FLEXIBLE DISPLAY TECHNOLOGY CO LTD (CN) | 2015-07-08 | — | — | EP | disclosed |