Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.69 |
| ▸ | CA12 | O43570 | 1/20 | 0.69 |
| ▸ | CA1 | P00915 | 1/20 | 0.69 |
| ▸ | CA2 | P00918 | 1/20 | 0.69 |
| ▸ | GLA | P06280 | 1/20 | 0.69 |
| ▸ | CA3 | P07451 | 1/20 | 0.69 |
| ▸ | CA4 | P22748 | 1/20 | 0.69 |
| ▸ | CA9 | Q16790 | 1/20 | 0.69 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.69 |
| ▸ | ESR1 | P03372 | 4/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTR3A | P46098 | 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL8710612 | 1.00 | TDP1 (0.69) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL28165624 | 0.97 | TDP1 (0.65) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL28151254 | 0.97 | TDP1 (0.65) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL2796966 | 0.92 | TDP1 (0.58) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL27575469 | 0.90 | CA12 (0.73) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL1029320 | 0.88 | TDP1 (0.61) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL1833685 | 0.88 | TDP1 (0.61) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL11054951 | 0.87 | CA1 (0.52) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL20262845 | 0.87 | CA12 (0.52) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL28493265 | 0.87 | CA12 (0.52) | TDP1CA12CA1CA2GLA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020069086-A2 | C1,C2-BRIDGED LIGANDS AND CATALYSTS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2020-04-02 | — | — | WO | disclosed |
| US-20200101450-A1 | C1,C2-Bridged Ligands and Catalysts | EXXONMOBIL CHEMICAL PATENTS INC. | 2020-04-02 | — | — | US | disclosed |
| US-4122128-A | Storable rapidly hardening epoxy resin adhesive | CIBA-GEIGY CORPORATION (US) | 1978-10-24 | — | — | US | disclosed |
| US-4117038-A | STORABLE, RAPIDLY HARDENING EPOXY RESIN ADHESIVE | CIBA-GEIGY CORPORATION (US) | 1978-09-26 | — | — | US | disclosed |