Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.57 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9009723 | 1.00 | ALDH1A1 (0.59) | ALDH1A1KEAP1FFAR1HDAC2HDAC8 | |
| SCHEMBL4667864 | 0.89 | HDAC1 (0.60) | ALDH1A1KEAP1HDAC2HDAC8HDAC6 | |
| SCHEMBL10507164 | 0.83 | ALDH1A1 (0.53) | ALDH1A1KEAP1FFAR1HDAC2HDAC8 | |
| SCHEMBL2682990 | 0.82 | KEAP1 (0.55) | ALDH1A1KEAP1FFAR1HDAC2HDAC8 | |
| SCHEMBL10899478 | 0.82 | KEAP1 (0.55) | ALDH1A1KEAP1FFAR1HDAC2HDAC8 | |
| SCHEMBL166472 | 0.82 | KEAP1 (0.55) | ALDH1A1KEAP1FFAR1HDAC2HDAC8 | |
| SCHEMBL30136406 | 0.82 | ALDH1A1 (0.47) | ALDH1A1KEAP1FFAR1TDP1KMT2A | |
| SCHEMBL23630344 | 0.82 | ALDH1A1 (0.52) | ALDH1A1KEAP1FFAR1HDAC2HDAC8 | |
| SCHEMBL6451798 | 0.82 | ALDH1A1 (0.52) | ALDH1A1KEAP1FFAR1HDAC2HDAC8 | |
| SCHEMBL9619650 | 0.82 | ALDH1A1 (0.52) | ALDH1A1KEAP1FFAR1HDAC2HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018145219-A1 | PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING | SERANI MOSTAZAL JORGE (CL) | 2018-08-16 | — | — | WO | claimed |
| US-6048852-A | BACTERICIDES | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-04-11 | — | — | US | disclosed |