Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.44 |
| ▸ | F7 | P08709 | 1/20 | 0.42 |
| ▸ | F3 | P13726 | 1/20 | 0.42 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.42 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.42 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.42 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.42 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.41 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL4111015 | 0.99 | HDAC1 (0.49) | HDAC1HDAC8PLOD2F7F3 | |
| SCHEMBL18106043 | 0.87 | HDAC1 (0.52) | HDAC1HDAC8PLOD2F7F3 | |
| SCHEMBL17700981 | 0.80 | HDAC1 (0.63) | HDAC1HDAC8PLOD2F7F3 | |
| SCHEMBL29963697 | 0.80 | HDAC1 (0.63) | HDAC1HDAC8PLOD2F7F3 | |
| SCHEMBL454516 | 0.80 | HDAC1 (0.53) | HDAC1HDAC8PLOD2F7F3 | |
| SCHEMBL29367901 | 0.80 | HDAC1 (0.53) | HDAC1HDAC8PLOD2F7F3 | |
| SCHEMBL420028 | 0.80 | HDAC1 (0.50) | HDAC1HDAC8PLOD2F7F3 | |
| Hydrochloric Acid SCHEMBL9490379 | 0.79 | HDAC1 (0.61) | HDAC1HDAC8PLOD2F7F3 | |
| Hydrochloric Acid SCHEMBL31026319 | 0.79 | HDAC1 (0.61) | HDAC1HDAC8PLOD2F7F3 | |
| SCHEMBL9010434 | 0.79 | HDAC1 (0.66) | HDAC1HDAC8PLOD2F7F3 |
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-2009010296-A2 | ANTIBODIES AGAINST 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE AND METABOLITES THEREOF | CENTRE DE RECHERCHE PUBLIQUE SANTÉ (LU) | 2009-01-22 | — | — | WO | disclosed |
| EP-2016954-A1 | Antibodies against 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone and metabolites thereof | Muller, Claude P. (LU) | 2009-01-21 | — | — | EP | disclosed |