Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.43 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.42 |
| ▸ | RAPGEF3 | O95398 | 4/20 | 0.41 |
| ▸ | RAPGEF4 | Q8WZA2 | 3/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.40 |
| ▸ | LIPE | Q05469 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | KLRK1 | P26718 | 1/20 | 0.37 |
| ▸ | MICA | Q29983 | 1/20 | 0.37 |
| ▸ | RAET1L | Q5VY80 | 1/20 | 0.37 |
| ▸ | TACR2 | P21452 | 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 | |
|---|---|---|---|---|
| SCHEMBL9818860 | 1.00 | CYP11B1 (0.43) | CYP11B1CYP11B2GPBAR1UTS2RRAPGEF3 | |
| SCHEMBL9818889 | 0.94 | GSK3B (0.45) | RAPGEF3RAPGEF4GSK3BMLYCDCES2 | |
| SCHEMBL9819113 | 0.90 | ALDH1A1 (0.42) | UTS2RRAPGEF3LIPECES2CES1 | |
| SCHEMBL9818875 | 0.88 | MLYCD (0.43) | RAPGEF3RAPGEF4GSK3BMLYCDCES2 | |
| SCHEMBL9819226 | 0.85 | RAPGEF3 (0.48) | CYP11B1CYP11B2GPBAR1RAPGEF3LIPE | |
| SCHEMBL9818823 | 0.76 | RHOC (0.49) | RAPGEF3RAPGEF4P2RX1 | |
| SCHEMBL9819165 | 0.76 | RHOC (0.49) | RAPGEF3RAPGEF4P2RX1 | |
| SCHEMBL8201118 | 0.71 | CHRNB2 (0.39) | GPBAR1LIPEALDH1A1POLBTDP1 | |
| SCHEMBL9819360 | 0.70 | RAPGEF3 (0.43) | RAPGEF3RAPGEF4 | |
| SCHEMBL9819198 | 0.70 | ENPP3 (0.49) | RAPGEF3RAPGEF4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5034410-A | Nitrile and oxo containing amides or thioamides | SYNTEX (U.S.A.) INC. (US) | 1991-07-23 | — | — | US | disclosed |