Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.39 |
| ▸ | FNTB | P49356 | 1/20 | 0.39 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.39 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.39 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | FASN | P49327 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16239535 | 0.80 | TACR3 (0.57) | TACR3ALDH1A1MAPT | |
| SCHEMBL16239697 | 0.78 | TACR3 (0.72) | TACR3ALDH1A1NR1H4HCRTR2 | |
| SCHEMBL16239587 | 0.77 | TACR3 (0.65) | TACR3ALDH1A1 | |
| SCHEMBL16239847 | 0.74 | TACR3 (0.53) | TACR3NR1I2RORC | |
| SCHEMBL16239718 | 0.72 | CCR3 (0.43) | NR1I2RORC | |
| SCHEMBL16239921 | 0.72 | TACR3 (0.55) | TACR3NR1I2RORC | |
| SCHEMBL16239791 | 0.72 | TACR3 (0.56) | TACR3 | |
| SCHEMBL10277847 | 0.70 | TACR3 (1.00) | TACR3 | |
| SCHEMBL16239590 | 0.69 | TACR3 (0.72) | TACR3ALDH1A1 | |
| SCHEMBL16239565 | 0.67 | TACR3 (0.60) | TACR3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2661432-B1 | PYRROLIDINE DERIVATIVES AS NK3 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2014-11-19 | — | — | EP | claimed |