Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 3/20 | 0.38 |
| ▸ | MME | P08473 | 4/20 | 0.38 |
| ▸ | KISS1R | Q969F8 | 2/20 | 0.37 |
| ▸ | CRAT | P43155 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL14294441 | 1.00 | ALDH1A1 (0.52) | ALDH1A1TAS1R3TAS1R1CNR1MME | |
| SCHEMBL24929078 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CRATLMNA | |
| SCHEMBL4341862 | 0.84 | TAS1R3 (0.42) | ALDH1A1TAS1R3TAS1R1CNR1MME | |
| SCHEMBL1861994 | 0.83 | — | — | |
| SCHEMBL27905207 | 0.83 | ALDH1A1 (0.48) | ALDH1A1KISS1RCRATMEN1LMNA | |
| SCHEMBL28499674 | 0.82 | ALDH1A1 (0.52) | ALDH1A1KISS1RCRATMEN1LMNA | |
| SCHEMBL11073456 | 0.82 | ALDH1A1 (0.52) | ALDH1A1KISS1RCRATMEN1LMNA | |
| SCHEMBL3306198 | 0.82 | ALDH1A1 (0.42) | ALDH1A1TAS1R3TAS1R1CNR1MME | |
| SCHEMBL25291547 | 0.82 | ALDH1A1 (0.42) | ALDH1A1TAS1R3TAS1R1CNR1MME | |
| SCHEMBL4338144 | 0.82 | MME (0.42) | ALDH1A1TAS1R3TAS1R1CNR1MME |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4439438-A | ANTIDEPRESSANTS, INOTROPIC AGENTS | CAVAZZA CLAUDIO (IT) | 1984-03-27 | — | — | US | claimed |
| EP-3684776-B1 | HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE | UNIV NOTTINGHAM (GB) | 2023-11-01 | — | — | EP | disclosed |
| CN-102964267-B | Cyclohexene compound having influenza virus neuraminidase inhibition activity, preparation method and application | UNIV SUN YAT SEN | 2015-06-10 | — | — | CN | disclosed |
| CN-102964267-A | Cyclohexene compound having influenza virus neuraminidase inhibition activity, preparation method and application | UNIV SUN YAT SEN | 2013-03-13 | — | — | CN | disclosed |
| US-4439438-A | ANTIDEPRESSANTS, INOTROPIC AGENTS | CAVAZZA CLAUDIO (IT) | 1984-03-27 | — | — | US | disclosed |