Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | GHSR | Q92847 | 5/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.39 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.39 |
| ▸ | ACE | P12821 | 1/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 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 | |
|---|---|---|---|---|
| SCHEMBL7475243 | 1.00 | CTSB (0.46) | CTSBCTSSCTSKMMP9MMP8 | |
| SCHEMBL7473464 | 0.85 | CTSB (0.45) | CTSBCTSSCTSKMMP9MMP8 | |
| SCHEMBL7659115 | 0.85 | ATM (0.45) | CTSBCTSSCTSKACEOPRM1 | |
| SCHEMBL7893852 | 0.85 | ATM (0.45) | CTSBCTSSCTSKACEOPRM1 | |
| SCHEMBL8362266 | 0.83 | CTSB (0.41) | CTSBCTSSCTSKMMP9MMP8 | |
| SCHEMBL3266674 | 0.82 | CTSB (0.49) | CTSBCTSSCTSKMMP9MMP8 | |
| SCHEMBL29624575 | 0.82 | CTSB (0.49) | CTSBCTSSCTSKMMP9MMP8 | |
| SCHEMBL1401196 | 0.82 | CTSB (0.49) | CTSBCTSSCTSKMMP9MMP8 | |
| SCHEMBL31407327 | 0.82 | CTSB (0.49) | CTSBCTSSCTSKMMP9MMP8 | |
| SCHEMBL7286769 | 0.82 | CTSB (0.49) | CTSBCTSSCTSKMMP9MMP8 |
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 |
|---|---|---|---|---|---|---|---|
| US-5929067-A | N-ACYLATING AMINE DERIVATIVE OF CAPROLACTAM COMPOUND WITH A CARBOXYLIC ACID OR DERIVATIVES TO FORM AMIDE DERIVATIVE OF CAPROLACTAM COMPOUND | NOVARTIS AG (CH) | 1999-07-27 | — | — | US | disclosed |
| EP-0810991-B1 | 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS | NOVARTIS AG (CH) | 1999-04-14 | — | — | EP | disclosed |
| EP-0810991-A1 | 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS | Novartis AG (CH) | 1997-12-10 | — | — | EP | disclosed |
| WO-1996026183-A1 | 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS | NOVARTIS AG (CH) | 1996-08-29 | — | — | WO | disclosed |