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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRCP | P42785 | 2/20 | 0.49 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 2/20 | 0.40 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.40 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | TLR2 | O60603 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 SCHEMBL28067798 | 0.92 | PRCP (0.47) | PRCPDPP7MEN1KMT2ABLM | |
| Proline SCHEMBL27639357 | 0.92 | PRCP (0.47) | PRCPDPP7MEN1KMT2ABLM | |
| Proline SCHEMBL6113021 | 0.90 | MEN1 (0.45) | PRCPMEN1KMT2ABLMDPP4 | |
| Proline SCHEMBL6113018 | 0.90 | MEN1 (0.45) | PRCPMEN1KMT2ABLMDPP4 | |
| Octanol SCHEMBL1850228 | 0.88 | PRCP (0.57) | PRCPDPP7MEN1KMT2ABLM | |
| Proline SCHEMBL27714859 | 0.88 | MEN1 (0.47) | PRCPDPP7MEN1KMT2ABLM | |
| Proline SCHEMBL28323879 | 0.87 | PRCP (0.47) | PRCPDPP7MEN1KMT2ABLM | |
| Proline SCHEMBL10955248 | 0.86 | PRCP (0.46) | PRCPDPP7MEN1KMT2ABLM | |
| Proline SCHEMBL8555781 | 0.86 | PRCP (0.46) | PRCPDPP7MEN1KMT2ABLM | |
| Proline SCHEMBL10955251 | 0.86 | PRCP (0.46) | PRCPDPP7MEN1KMT2ABLM |
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 |
|---|---|---|---|---|---|---|---|
| CN-104159584-A | Aprepitant L-proline solvate-compositions and co-crystals | NUFORMIX LTD | 2014-11-19 | — | — | CN | disclosed |
| WO-2013076659-A1 | APREPITANT L-PROLINE SOLVATES - COMPOSITIONS AND COCRYSTALS | NUFORMIX LIMITED (GB) | 2013-05-30 | — | — | WO | disclosed |