Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.96 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.96 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.96 |
| ▸ | GALR3 | O60755 | 2/20 | 0.96 |
| ▸ | RAB9A | P51151 | 2/20 | 0.96 |
| ▸ | NPC1 | O15118 | 1/20 | 0.96 |
| ▸ | TP53 | P04637 | 1/20 | 0.96 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.79 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.79 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | CTSK | P43235 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL6235670 | 1.00 | ALDH1A1 (0.96) | ALDH1A1SMN1; SMN2MAPK1GALR3RAB9A | |
| SCHEMBL6238487 | 0.89 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2MAPK1GALR3RAB9A | |
| SCHEMBL6236398 | 0.86 | ALDH1A1 (0.94) | ALDH1A1SMN1; SMN2MAPK1GALR3RAB9A | |
| SCHEMBL11208162 | 0.81 | SMN1; SMN2 (0.71) | ALDH1A1SMN1; SMN2MAPK1GALR3RAB9A | |
| SCHEMBL29324698 | 0.79 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2MAPK1GALR3RAB9A | |
| SCHEMBL6239841 | 0.79 | CTSS (0.74) | ALDH1A1SMN1; SMN2MAPK1GALR3RAB9A | |
| SCHEMBL13363709 | 0.79 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2MAPK1GALR3RAB9A | |
| SCHEMBL9730702 | 0.78 | SMN1; SMN2 (0.68) | ALDH1A1SMN1; SMN2MAPK1GALR3RAB9A | |
| SCHEMBL1975340 | 0.78 | HRH1 (0.70) | ALDH1A1SMN1; SMN2MAPK1GALR3RAB9A | |
| SCHEMBL6235821 | 0.78 | CTSS (0.81) | ALDH1A1SMN1; SMN2MAPK1GALR3RAB9A |
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-2005011703-A1 | 2-CYANO-1,3,5-TRIAZINE-4,6-DIAMINE DERIVATIVES | AKZO NOBEL N.V. (NL) | 2005-02-10 | — | — | WO | disclosed |