Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | 5/20 | 0.44 |
| ▸ | ESR2 known ✓ | Q92731 | 3/20 | 0.44 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | FNTA | P49354 | 1/20 | 0.43 |
| ▸ | FNTB | P49356 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 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 SCHEMBL20262845 | 1.00 | CA12 (0.52) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28311893 | 1.00 | CA12 (0.52) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL29392457 | 0.87 | CA12 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL10886697 | 0.87 | CA12 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL8710612 | 0.87 | TDP1 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL11658010 | 0.87 | TDP1 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL478255 | 0.87 | CA12 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL11206985 | 0.87 | CA12 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL10433598 | 0.87 | CA12 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL9331064 | 0.87 | CA12 (0.69) | CA12CA1CA2GLACA3 |
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-106927958-B | Special amino acid composite liquid fertilizer for calcareous soil and preparation method thereof | 宁夏农林科学院农业资源与环境研究所 | 2020-11-20 | — | — | CN | disclosed |