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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.61 |
| ▸ | CA1 | P00915 | 2/20 | 0.61 |
| ▸ | CA2 | P00918 | 2/20 | 0.61 |
| ▸ | CA3 | P07451 | 2/20 | 0.61 |
| ▸ | CA4 | P22748 | 2/20 | 0.61 |
| ▸ | CA9 | Q16790 | 2/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.61 |
| ▸ | GLA | P06280 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
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 SCHEMBL10791210 | 0.97 | CA12 (0.65) | CA12CA1CA2CA3CA4 | |
| Phenol SCHEMBL5874295 | 0.97 | CA12 (0.65) | CA12CA1CA2CA3CA4 | |
| Phenol SCHEMBL10791213 | 0.97 | CA12 (0.65) | CA12CA1CA2CA3CA4 | |
| Phenol SCHEMBL28217458 | 0.94 | CA12 (0.61) | CA12CA1CA2CA3CA4 | |
| Phenol SCHEMBL27919347 | 0.94 | CA12 (0.69) | CA12CA1CA2CA3CA4 | |
| Phenol SCHEMBL28136426 | 0.90 | TDP1 (0.55) | CA12CA1CA2CA3CA4 | |
| Phenol SCHEMBL1793331 | 0.86 | CA12 (0.58) | CA12CA1CA2CA3CA4 | |
| Phenol SCHEMBL27762777 | 0.85 | CA12 (0.50) | CA12CA1CA2CA3CA4 | |
| Phenol SCHEMBL5875014 | 0.84 | CA12 (0.55) | CA12CA1CA2CA3CA4 | |
| Phenol SCHEMBL29140824 | 0.82 | CA12 (0.52) | CA12CA1CA2CA3CA4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109071672-A | Antibodies specifically binding to human epidermal growth factor receptor 2 with improved stability | 艾克隆株式会社 | 2018-12-21 | — | — | CN | disclosed |
| CN-1003589-B | Composition containing N, N' -methylene-bis (2-amino-5-mercapto-1, 3, 4-thiadiazole) active component, and preparation method and application thereof | 四川省化学工业研究所 | 1989-03-15 | — | — | CN | disclosed |
| CN-85101435-A | Novel cpd N, N '-methylene-two (2 amino-5 sulfydryl-1,3,4 thiadiazoles) preparation method and contain the control vegetative bacteria of this compound, the disease sterilant | — | 1986-07-09 | — | — | CN | disclosed |