Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2529459 | 0.80 | CYP2D6 (0.45) | ALDH1A1CYP3A4CYP2D6SRCLMNA | |
| SCHEMBL17724521 | 0.80 | CYP2D6 (0.45) | ALDH1A1CYP3A4CYP2D6SRCLMNA | |
| Hydrochloric Acid SCHEMBL2530813 | 0.79 | CYP2D6 (0.43) | ALDH1A1CYP3A4CYP2D6SRCLMNA | |
| SCHEMBL6963705 | 0.79 | ALDH1A1 (0.40) | CTSDALDH1A1CYP3A4GAACYP2D6 | |
| SCHEMBL27715833 | 0.77 | PPARG (0.39) | CTSDALDH1A1CYP3A4GAACYP2D6 | |
| SCHEMBL3458611 | 0.77 | EPHX1 (0.43) | CTSDALDH1A1CYP3A4GAACYP2D6 | |
| SCHEMBL4658943 | 0.73 | POLB (0.56) | ALDH1A1L3MBTL1TACR1GAALMNA | |
| SCHEMBL19312090 | 0.72 | MMP8 (0.49) | ALDH1A1TDP1GAALMNAKMT2A | |
| SCHEMBL17724435 | 0.72 | MMP8 (0.49) | ALDH1A1TDP1GAALMNAKMT2A | |
| SCHEMBL13517797 | 0.72 | TDP1 (0.52) | CYP2C19CTSDAKT1TDP1L3MBTL1 |
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-1115693-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | Monsanto Company (US) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000018721-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | MONSANTO COMPANY (US) | 2000-04-06 | — | — | WO | disclosed |