Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9468665 | 1.00 | CES2 (0.58) | CES2ALDH1A1POLBTAS1R3TAS1R1 | |
| SCHEMBL9874158 | 0.83 | CYP11B1 (0.54) | CES2SRD5A2MAOB | |
| SCHEMBL11465984 | 0.82 | CES2 (0.63) | CES2ALDH1A1POLBNPSR1SRD5A2 | |
| SCHEMBL11465983 | 0.82 | CES2 (0.63) | CES2ALDH1A1POLBNPSR1SRD5A2 | |
| SCHEMBL9160769 | 0.81 | CES2 (0.58) | CES2ALDH1A1POLBNPSR1SRD5A2 | |
| SCHEMBL11376363 | 0.79 | CES2 (0.51) | CES2ALDH1A1POLBTAS1R3TAS1R1 | |
| SCHEMBL3544067 | 0.79 | CES2 (0.51) | CES2ALDH1A1POLBTAS1R3TAS1R1 | |
| SCHEMBL13729327 | 0.78 | CES2 (0.53) | CES2ALDH1A1MEN1KMT2A | |
| SCHEMBL9159447 | 0.77 | CES2 (0.56) | CES2ALDH1A1POLBNPSR1SRD5A2 | |
| SCHEMBL9159450 | 0.77 | CES2 (0.56) | CES2ALDH1A1POLBNPSR1SRD5A2 |
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-5219857-A | Method of treating cognitive and related neural behavioral problems | AMERICAN CYANAMID COMPANY (US) | 1993-06-15 | — | — | US | disclosed |
| US-5126340-A | Antidepressants | AMERICAN CYANAMID COMPANY (US) | 1992-06-30 | — | — | US | disclosed |
| US-4963553-A | TREATING COGNITIVE AND NEURAL BEHAVIORAL PROBLEMS IN MAMMALS | AMERICAN CYANAMID CO. (US) | 1990-10-16 | — | — | US | disclosed |
| EP-0264773-A1 | 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines | AMERICAN CYANAMID COMPANY (US) | 1988-04-27 | — | — | EP | disclosed |