Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Proline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | CTSC | P53634 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| Proline SCHEMBL6040135 | 1.00 | HTR2C (0.48) | HTR2CHTR2BCTSCKDM4ECYP3A4 | |
| Ethylbenzene SCHEMBL1116548 | 0.81 | CTSC (0.49) | HTR2CHTR2BCTSCKDM4ETSHR | |
| Proline SCHEMBL9015317 | 0.81 | CTSC (0.51) | HTR2CHTR2BCTSCKDM4ETSHR | |
| SCHEMBL474619 | 0.81 | HTR2C (0.47) | HTR2CHTR2BCTSCCYP3A4CYP2D6 | |
| SCHEMBL28274418 | 0.80 | HTR2C (0.46) | HTR2CHTR2BCTSCCYP3A4CYP2D6 | |
| Phenylalanine Methyl Ester SCHEMBL27741689 | 0.79 | CTSC (0.51) | HTR2CHTR2BCTSCCYP3A4CYP2D6 | |
| Phenylalanine Methyl Ester SCHEMBL29087592 | 0.79 | CTSC (0.51) | HTR2CHTR2BCTSCCYP3A4CYP2D6 | |
| (Chloromethyl)Benzene SCHEMBL25337720 | 0.79 | CTSC (0.49) | HTR2CHTR2BCTSC | |
| Benzylamine SCHEMBL28304506 | 0.79 | CTSC (0.49) | HTR2CHTR2BCTSCCYP3A4CYP2D6 | |
| Piperidine SCHEMBL9555384 | 0.78 | ALDH1A1 (0.50) | KDM4ETSHRALDH1A1LMNAHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1695088-A1 | METHOD FOR ANALYSING METABOLITES | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005059556-A1 | METHOD FOR ANALYSING METABOLITES | MAX PLANCK GESELLLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) | 2005-06-30 | — | — | WO | disclosed |