Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | GFER | P55789 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 8/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | MITF | O75030 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | DHODH | Q02127 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL13927135 | 0.89 | ALDH1A1 (0.92) | ALDH1A1CYP1A2GFERCYP3A4CYP2C9 | |
| SCHEMBL1991348 | 0.85 | ALDH1A1 (1.00) | ALDH1A1CYP1A2GFERCYP3A4CYP2C9 | |
| SCHEMBL45299 | 0.85 | ALDH1A1 (1.00) | ALDH1A1CYP1A2GFERCYP3A4CYP2C9 | |
| SCHEMBL1336628 | 0.82 | ALDH1A1 (0.79) | ALDH1A1CYP1A2GFERCYP3A4CYP2C9 | |
| SCHEMBL2058694 | 0.82 | ALDH1A1 (0.79) | ALDH1A1CYP1A2GFERCYP3A4CYP2C9 | |
| SCHEMBL29360103 | 0.82 | ALDH1A1 (0.79) | ALDH1A1CYP1A2GFERCYP3A4CYP2C9 | |
| SCHEMBL12189649 | 0.82 | ALDH1A1 (0.85) | ALDH1A1CYP1A2GFERCYP3A4CYP2C9 | |
| SCHEMBL18874611 | 0.81 | ALDH1A1 (0.76) | ALDH1A1CYP1A2GFERCYP3A4CYP2C9 | |
| SCHEMBL9402421 | 0.81 | ALDH1A1 (0.76) | ALDH1A1CYP1A2GFERCYP3A4CYP2C9 | |
| SCHEMBL7827900 | 0.81 | ALDH1A1 (0.76) | ALDH1A1CYP1A2GFERCYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-8859620-B2 | Phthalanilate compounds and methods of use | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2014-10-14 | — | — | US | disclosed |