Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 2/20 | 0.45 |
| ▸ | CTSS | P25774 | 2/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | GHSR | Q92847 | 3/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8359762 | 0.85 | CTSB (0.46) | CTSBCTSSCTSKPTPN1MAOB | |
| SCHEMBL7475243 | 0.85 | CTSB (0.46) | CTSBCTSSCTSKPTPN1MAOB | |
| SCHEMBL3266674 | 0.80 | CTSB (0.49) | CTSBCTSSCTSKPTPN1MAOB | |
| SCHEMBL7286769 | 0.80 | CTSB (0.49) | CTSBCTSSCTSKPTPN1MAOB | |
| SCHEMBL29624575 | 0.80 | CTSB (0.49) | CTSBCTSSCTSKPTPN1MAOB | |
| SCHEMBL1401196 | 0.80 | CTSB (0.49) | CTSBCTSSCTSKPTPN1MAOB | |
| SCHEMBL31407327 | 0.80 | CTSB (0.49) | CTSBCTSSCTSKPTPN1MAOB | |
| SCHEMBL8362266 | 0.78 | CTSB (0.41) | CTSBCTSSCTSKPTPN1GHSR | |
| SCHEMBL5428769 | 0.77 | MCHR1 (0.42) | TACR1 | |
| SCHEMBL8717981 | 0.76 | CTSB (0.47) | CTSBCTSSCTSKPTPN1GHSR |
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 |