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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | MYC | P01106 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | NNMT | P40261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CTSC | P53634 | 1/20 | 0.36 |
| ▸ | PARP15 | Q460N3 | 5/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 5/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
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 SCHEMBL8727242 | 0.80 | NOS2 (0.39) | GRM5KCNH2HRH2HRH1NNMT | |
| SCHEMBL1993840 | 0.79 | GRM5 (0.58) | GRM5MYCNNMTSMN1; SMN2PARP15 | |
| SCHEMBL6487155 | 0.72 | GRM5 (0.42) | GRM5MYCJAK2JAK1PARP15 | |
| SCHEMBL6476968 | 0.71 | HTR2C (0.56) | KCNH2CTSC | |
| Proline SCHEMBL27846111 | 0.69 | DPP4 (0.49) | SMN1; SMN2CTSCDPP4 | |
| Proline SCHEMBL3987842 | 0.69 | NOS2 (0.56) | SMN1; SMN2DPP4 | |
| Proline SCHEMBL998686 | 0.69 | NOS2 (0.56) | SMN1; SMN2DPP4 | |
| Proline SCHEMBL998685 | 0.69 | NOS2 (0.56) | SMN1; SMN2DPP4 | |
| Proline SCHEMBL3987839 | 0.69 | NOS2 (0.56) | SMN1; SMN2DPP4 | |
| Proline SCHEMBL8711115 | 0.69 | BLM (0.50) | SMN1; SMN2DPP4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996025426-A9 | NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS | — | 1997-06-12 | — | — | WO | disclosed |