Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Phenol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL22077487 | 0.84 | HPGD (0.50) | SMN1; SMN2HPGDLMNAALDH1A1MEN1 | |
| Phenol SCHEMBL1500566 | 0.81 | NPC1 (0.50) | SMN1; SMN2HPGDLMNAALDH1A1MEN1 | |
| Phenol SCHEMBL28243442 | 0.81 | NPC1 (0.50) | SMN1; SMN2HPGDLMNAALDH1A1MEN1 | |
| Phenol SCHEMBL28169034 | 0.80 | NPC1 (0.49) | SMN1; SMN2HPGDLMNAALDH1A1MEN1 | |
| Phenol SCHEMBL7025301 | 0.80 | CA12 (0.39) | ALDH1A1KDM4E | |
| Bicarbonate SCHEMBL29832424 | 0.74 | HPGD (0.46) | SMN1; SMN2HPGDLMNAALDH1A1MEN1 | |
| Bicarbonate SCHEMBL15652769 | 0.74 | HPGD (0.46) | SMN1; SMN2HPGDLMNAALDH1A1MEN1 | |
| Bicarbonate SCHEMBL28863262 | 0.72 | HPGD (0.45) | SMN1; SMN2HPGDLMNAALDH1A1MEN1 | |
| SCHEMBL8571092 | 0.71 | NPC1 (0.50) | SMN1; SMN2HPGDLMNAALDH1A1MEN1 | |
| Bicarbonate SCHEMBL7922938 | 0.71 | UGT2B7 (0.36) | SMN1; SMN2LMNATP53RAB9AGAA |
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-110214160-A | With improved carbon fiber-matrix interface polycarbonate | 沙特基础工业全球技术有限公司 | 2019-09-06 | — | — | CN | disclosed |