Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL5216249 | 1.00 | CYP2A6 (0.44) | CYP2A6CYP2A13ALDH1A1HPGDKDM4E | |
| SCHEMBL5001640 | 0.92 | ERN1 (0.44) | CYP2A6ALDH1A1HPGDKDM4ENPC1 | |
| SCHEMBL5001639 | 0.92 | ERN1 (0.44) | CYP2A6ALDH1A1HPGDKDM4ENPC1 | |
| SCHEMBL4994355 | 0.90 | ALDH1A1 (0.46) | ALDH1A1HPGDKDM4EMAPK1NPC1 | |
| SCHEMBL4994349 | 0.90 | ALDH1A1 (0.46) | ALDH1A1HPGDKDM4EMAPK1NPC1 | |
| SCHEMBL8362192 | 0.76 | ERN1 (0.53) | CYP2A6ALDH1A1HPGDNPC1TSHR | |
| SCHEMBL24542733 | 0.75 | ALDH1A1 (0.52) | ALDH1A1HPGDKDM4EMAPK1NPC1 | |
| SCHEMBL4998563 | 0.74 | NAAA (0.47) | ALDH1A1KDM4EMAPK1NPC1SMN1; SMN2 | |
| SCHEMBL4998558 | 0.74 | NAAA (0.47) | ALDH1A1KDM4EMAPK1NPC1SMN1; SMN2 | |
| SCHEMBL3146081 | 0.71 | ALDH1A1 (0.52) | CYP2A6CYP2A13ALDH1A1HPGDNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1842097-A1 | COMPOUNDS HAVING IMPROVED 2-PHOTON ABSORBANCE FOR NONLINEAR APPLICATIONS | Mempile Inc. (US) | 2007-10-10 | — | — | EP | disclosed |
| WO-2006075328-A1 | COMPOUNDS HAVING IMPROVED 2-PHOTON ABSORBANCE FOR NONLINEAR APPLICATIONS | MEMPILE INC. (US) | 2006-07-20 | — | — | WO | disclosed |