Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Phenethylcarbamic Acid. 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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | CTSC | P53634 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Proline SCHEMBL9015317 | 0.88 | CTSC (0.51) | NPC1RAB9ATAAR1SMN1; SMN2EPHX2 | |
| SCHEMBL2089397 | 0.86 | HTR2C (0.60) | NPC1RAB9ATAAR1SMN1; SMN2EPHX2 | |
| SCHEMBL2089855 | 0.86 | HTR2C (0.60) | NPC1RAB9ATAAR1SMN1; SMN2EPHX2 | |
| SCHEMBL2089398 | 0.86 | HTR2C (0.60) | NPC1RAB9ATAAR1SMN1; SMN2EPHX2 | |
| Hydrochloric Acid SCHEMBL11095820 | 0.84 | HTR2C (0.59) | NPC1RAB9ATAAR1SMN1; SMN2EPHX2 | |
| SCHEMBL24322439 | 0.82 | TAAR1 (0.62) | NPC1RAB9ATAAR1SMN1; SMN2EPHX2 | |
| SCHEMBL18381212 | 0.82 | TAAR1 (0.62) | NPC1RAB9ATAAR1SMN1; SMN2EPHX2 | |
| Hydrocinnamyl Alcohol SCHEMBL28058161 | 0.82 | CTSC (0.46) | NPC1RAB9ATAAR1SMN1; SMN2EPHX2 | |
| Hydrocinnamyl Alcohol SCHEMBL28225344 | 0.81 | CTSC (0.45) | NPC1RAB9ATAAR1SMN1; SMN2EPHX2 | |
| SCHEMBL28089040 | 0.80 | HTR2C (0.49) | NPC1RAB9ATAAR1SMN1; SMN2EPHX2 |
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-104271553-B | Heterocyclic compounds and methods of their use | NOVARTIS AG (CH) | 2016-11-30 | — | — | CN | claimed |