Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.90 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | CA5A | P35218 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.55 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.52 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Metacresol SCHEMBL28289101 | 0.97 | ACHE (0.85) | ACHECYP1A2CYP2C19ALDH1A1CA12 | |
| P-Cresol SCHEMBL30606768 | 0.95 | ACHE (0.81) | ACHECYP1A2CYP2C19ALDH1A1CA12 | |
| P-Cresol SCHEMBL5509205 | 0.95 | ACHE (0.81) | ACHECYP1A2CYP2C19ALDH1A1CA12 | |
| Metacresol SCHEMBL29352064 | 0.95 | — | — | |
| Metacresol SCHEMBL10736 | 0.95 | — | — | |
| Metacresol SCHEMBL9774388 | 0.95 | ACHE (1.00) | ACHECYP1A2CYP2C19ALDH1A1CA12 | |
| Metacresol SCHEMBL11437600 | 0.95 | ACHE (1.00) | ACHECYP1A2CYP2C19ALDH1A1CA12 | |
| Metacresol SCHEMBL2314567 | 0.95 | ACHE (1.00) | ACHECYP1A2CYP2C19ALDH1A1CA12 | |
| Metacresol SCHEMBL8390202 | 0.92 | ACHE (0.85) | ACHECYP1A2CYP2C19ALDH1A1CA12 | |
| Metacresol SCHEMBL2535890 | 0.92 | ACHE (0.85) | ACHECYP1A2CYP2C19ALDH1A1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106865853-B | Method for separating phenolic compounds in phenol-containing wastewater | 广东工业大学 | 2020-10-27 | — | — | CN | disclosed |
| CN-106865853-A | A kind of method for separating Phenolic Compounds From Wastewater Containing Phenols compound | 广东工业大学 | 2017-06-20 | — | — | CN | disclosed |