Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Pyrrolidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL30496139 | 0.97 | ALDH1A1 (0.45) | ALDH1A1TSHRLMNACYP3A4GABRA1 | |
| Piperidine SCHEMBL28253499 | 0.97 | ALDH1A1 (0.45) | ALDH1A1TSHRLMNACYP3A4GABRA1 | |
| Piperazine SCHEMBL27656709 | 0.89 | TSHR (0.40) | TSHRLMNACYP3A4GABRA1GABRG2 | |
| Piperidine SCHEMBL8407029 | 0.87 | ALDH1A1 (0.36) | ALDH1A1TSHRLMNACYP3A4GABRA1 | |
| Piperazine SCHEMBL27727092 | 0.86 | TSHR (0.39) | TSHRLMNACYP3A4GABRA1GABRG2 | |
| Methanesulfonic Acid Methyl Ester SCHEMBL6534264 | 0.81 | USP2 (0.56) | ALDH1A1TSHRLMNACXCR4SMN1; SMN2 | |
| Pyrrolidine SCHEMBL8652906 | 0.80 | ALDH1A1 (0.47) | ALDH1A1TSHRLMNACYP3A4GABRA1 | |
| Pyrrolidine SCHEMBL28642083 | 0.80 | ALDH1A1 (0.53) | ALDH1A1TSHRLMNACYP3A4GABRA1 | |
| Cyclopropane SCHEMBL21001119 | 0.80 | — | — | |
| Pyrrolidine SCHEMBL3835047 | 0.80 | ALDH1A1 (0.53) | ALDH1A1TSHRLMNACYP3A4GABRA1 |
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-1792903-B1 | Composition for the dyeing of keratin fibres comprising at least one cationic 3-amino-pyrazolopyridine derivative | OREAL (FR) | 2009-10-14 | — | — | EP | disclosed |
| EP-1792903-A1 | Composition for the dyeing of keratin fibres comprising at least one cationic 3-amino-pyrazolopyridine derivative | L'OREAL (FR) | 2007-06-06 | — | — | EP | disclosed |