Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.69 |
| ▸ | CA2 | P00918 | 3/20 | 0.69 |
| ▸ | CA9 | Q16790 | 3/20 | 0.69 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.69 |
| ▸ | CA1 | P00915 | 2/20 | 0.69 |
| ▸ | CA3 | P07451 | 2/20 | 0.69 |
| ▸ | CA4 | P22748 | 2/20 | 0.69 |
| ▸ | GLA | P06280 | 1/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.69 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 10/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
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 SCHEMBL635977 | 0.97 | CA12 (0.73) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL28409164 | 0.97 | CA12 (0.73) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL27342954 | 0.88 | CA12 (0.61) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL27623791 | 0.87 | CA12 (0.92) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL1309339 | 0.87 | — | — | |
| Phenol SCHEMBL11441685 | 0.87 | — | — | |
| Phenol SCHEMBL11521502 | 0.87 | CA12 (0.92) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL127451 | 0.87 | — | — | |
| Phenol SCHEMBL11521497 | 0.87 | CA12 (0.92) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL30012101 | 0.87 | CA12 (0.92) | CA12CA2CA9CA14CA1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-4270096-A | — | — | None | — | — | JP | disclosed |
| CN-109082461-A | Collichthys lucidus genome SNP marker method based on enzymes combinations Genotyping sequencing technologies | 浙江海洋大学 | 2018-12-25 | — | — | CN | disclosed |
| JP-H04270096-A | CREAM SOLDER | IWATSU ELECTRIC CO LTD | 1992-09-25 | — | — | JP | disclosed |