Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 6/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 2/20 | 0.36 |
| ▸ | CTSB | P07858 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | CTSV | O60911 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSC | P53634 | 1/20 | 0.35 |
| ▸ | CTSF | Q9UBX1 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | AGXT | P21549 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2571382 | 0.85 | TSHR (0.43) | DPP4IDO1CTSLCTSBCTSK | |
| SCHEMBL21697528 | 0.83 | CTSL (0.43) | DPP4CTSLCTSBCTSKOPRM1 | |
| SCHEMBL7445879 | 0.77 | TACR1 (0.47) | DPP4ALDH1A1KMT2ACTSLCTSB | |
| SCHEMBL4184332 | 0.76 | KDM4C (0.47) | KMT2ACTSLCTSBCTSKTACR1 | |
| SCHEMBL11258174 | 0.74 | KDM4C (0.46) | ALDH1A1KMT2ACTSLCTSBCTSK | |
| SCHEMBL6099668 | 0.74 | TSHR (0.46) | DPP4IDO1ALDH1A1KMT2ACTSL | |
| SCHEMBL15575649 | 0.73 | DPP4 (0.49) | DPP4TRPM8IDO1CTSLCTSB | |
| SCHEMBL15575646 | 0.73 | DPP4 (0.49) | DPP4TRPM8IDO1CTSLCTSB | |
| SCHEMBL15575648 | 0.73 | DPP4 (0.49) | DPP4TRPM8IDO1CTSLCTSB | |
| SCHEMBL2510432 | 0.72 | MEN1 (0.39) | DPP4IDO1KMT2ACTSLCTSB |
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-2588104-A1 | ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck Sharp & Dohme Corp. (US) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012003147-A1 | ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-05 | — | — | WO | disclosed |