Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 2/20 | 0.30 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL1703554 | 0.72 | ALDH1A1 (0.37) | USP2ALDH1A1ALOX15TDP1PKM | |
| SCHEMBL594164 | 0.70 | CYP4F2 (0.39) | CYP4F2CYP4A11MMP8PKM | |
| Hydrochloric Acid SCHEMBL2865658 | 0.69 | CYP4F2 (0.38) | CYP4F2CYP4A11PKM | |
| SCHEMBL22680072 | 0.68 | PKM (0.39) | CYP4F2CYP4A11PKM | |
| SCHEMBL22680074 | 0.68 | PKM (0.39) | CYP4F2CYP4A11PKM | |
| Hydrochloric Acid SCHEMBL22655521 | 0.67 | PKM (0.41) | CYP4F2CYP4A11PKM | |
| Hydrochloric Acid SCHEMBL22491839 | 0.67 | PKM (0.41) | CYP4F2CYP4A11PKM | |
| SCHEMBL19071938 | 0.66 | ALDH1A1 (0.41) | ALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL10835736 | 0.66 | USP2 (0.43) | USP2ALDH1A1ALOX15TDP1CYP4F2 | |
| SCHEMBL1226998 | 0.66 | SLC6A1 (0.36) | CYP4F2CYP4A11TSHRPKM |
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-2340021-A1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | F. Hoffmann-La Roche AG (CH) | 2011-07-06 | — | — | EP | disclosed |
| WO-2010031713-A1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-25 | — | — | WO | disclosed |