Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 3/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL7828749 | 0.89 | ALDH1A1 (0.48) | ALDH1A1ALOX15KDM4ECASP1CASP7 | |
| Hydrochloric Acid SCHEMBL17595031 | 0.87 | ALDH1A1 (0.46) | ALDH1A1ALOX15KDM4ECASP1CASP7 | |
| Hydrochloric Acid SCHEMBL17597735 | 0.87 | ALDH1A1 (0.46) | ALDH1A1ALOX15KDM4ECASP1CASP7 | |
| Trifluoroacetic Acid SCHEMBL17594935 | 0.80 | BRD4 (0.46) | ALDH1A1KDM4EPOLBTDP1SMN1; SMN2 | |
| Phthalic Acid SCHEMBL28370747 | 0.75 | ALDH1A1 (0.70) | ALDH1A1ALOX15KDM4EHSD17B10POLB | |
| SCHEMBL17595020 | 0.72 | KDM4E (0.35) | ALDH1A1ALOX15KDM4ECASP1CASP7 | |
| SCHEMBL3108319 | 0.72 | KDM4E (0.45) | ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD | |
| SCHEMBL2280624 | 0.72 | ALDH1A1 (0.46) | ALDH1A1ALOX15KDM4ECASP1CASP7 | |
| SCHEMBL22234668 | 0.71 | SMN1; SMN2 (0.46) | ALDH1A1ALOX15KDM4EPOLBSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL17597430 | 0.71 | ALDH1A1 (0.44) | ALDH1A1ALOX15KDM4ECASP1CASP7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016039936-A2 | MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-03-17 | — | — | WO | disclosed |