Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 3/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | CTSS | P25774 | 2/20 | 0.44 |
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.43 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7471521 | 1.00 | KLK5 (0.49) | KLK5PPARGPPARAGAAALDH1A1 | |
| SCHEMBL7471500 | 1.00 | KLK5 (0.49) | KLK5PPARGPPARAGAAALDH1A1 | |
| SCHEMBL13932828 | 0.90 | CA1 (0.54) | KLK5PPARGPPARAGAAALDH1A1 | |
| SCHEMBL6730484 | 0.88 | PPARA (0.54) | KLK5PPARGPPARAGAACACNA1B | |
| SCHEMBL31177405 | 0.88 | PPARA (0.54) | KLK5PPARGPPARAGAACACNA1B | |
| SCHEMBL8486327 | 0.86 | KLK5 (0.63) | KLK5ATMCTSSCTSKPSEN1 | |
| SCHEMBL27486450 | 0.86 | KLK5 (0.63) | KLK5ATMCTSSCTSKPSEN1 | |
| SCHEMBL27796636 | 0.86 | KLK5 (0.63) | KLK5ATMCTSSCTSKPSEN1 | |
| SCHEMBL27502332 | 0.86 | KLK5 (0.63) | KLK5ATMCTSSCTSKPSEN1 | |
| SCHEMBL31177569 | 0.86 | KLK5 (0.54) | KLK5PPARGPPARAGAAALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0923550-B1 | ACYLAMINOALKENYLENE-AMIDE DERIVATIVES AS NK1 AND NK2 ANTAGONISTS | NOVARTIS AG (CH) | 2002-09-25 | — | — | EP | disclosed |
| US-6319917-B1 | NEUROGENIC INFLAMMATION AND TACHYKININ BRONCHOCONSTRICTION INHIBITORS | NOVARTIS AG (CH) | 2001-11-20 | — | — | US | disclosed |
| EP-0923550-A1 | ACYLAMINOALKENYLENE-AMIDE DERIVATIVES AS NK1 AND NK2 ANTAGONISTS | Novartis AG (CH) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998007694-A1 | ACYLAMINOALKENYLENE-AMIDE DERIVATIVES AS NK1 AND NK2 ANTAGONISTS | NOVARTIS AG (CH) | 1998-02-26 | — | — | WO | disclosed |