Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 SCHEMBL6422238 | 0.79 | CYP1A2 (0.55) | CYP1A2CYP2D6CYP2C19ALDH1A1MAPK1 | |
| SCHEMBL11475903 | 0.77 | CA1 (0.58) | MAPTCYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL114318 | 0.77 | CA1 (0.58) | MAPTCYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL17842538 | 0.76 | ADRB2 (0.50) | CYP1A2CYP2D6CYP2C19ALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL8894706 | 0.75 | CYP1A2 (0.55) | MAPTCYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL4295168 | 0.74 | ROCK1 (0.40) | MAPTSMN1; SMN2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3108877 | 0.73 | KDM4E (0.42) | ALDH1A1KDM4ESLC2A1ACHEEGFR | |
| SCHEMBL1685039 | 0.73 | EGFR (0.52) | MAPTSMN1; SMN2CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL13648681 | 0.72 | ALDH1A1 (0.38) | ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL1685079 | 0.72 | EGFR (0.51) | MAPTCYP1A2CYP2C19ALDH1A1TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1441683-A4 | TRISUBSTITUTED TRIAZINE COMPOUNDS, AND METHODS FOR MAKING AN USING THE COMPOUNDS, WHICH HAVE ANTITUBULIN ACTIVITY | UNIV NEW YORK (US) | 2005-10-26 | — | — | EP | disclosed |
| EP-1441683-A2 | TRISUBSTITUTED TRIAZINE COMPOUNDS, AND METHODS FOR MAKING AN USING THE COMPOUNDS, WHICH HAVE ANTITUBULIN ACTIVITY | NEW YORK UNIVERSITY (US) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003032903-A2 | TRISUBSTITUTED TRIAZINES COMPOUNDS WITH ANTITUBULIN ACTIVITY | NEW YORK UNIVERSITY (US) | 2003-04-24 | — | — | WO | disclosed |