Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 5/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ESRRG | P62508 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9915630 | 0.90 | APP (0.42) | APPALDH1A1MAPK1TDP1RECQL | |
| SCHEMBL9915609 | 0.90 | APP (0.42) | APPALDH1A1MAPK1TDP1RECQL | |
| SCHEMBL7718268 | 0.90 | APP (0.42) | APPALDH1A1MAPK1TDP1RECQL | |
| SCHEMBL33874 | 0.88 | ALDH1A1 (0.54) | ALDH1A1CYP3A4MAPK1TDP1PSMD14 | |
| SCHEMBL28087334 | 0.88 | ALDH1A1 (0.54) | ALDH1A1CYP3A4MAPK1TDP1PSMD14 | |
| SCHEMBL8521178 | 0.88 | ALDH1A1 (0.54) | ALDH1A1CYP3A4MAPK1TDP1PSMD14 | |
| Water SCHEMBL3359653 | 0.86 | ALDH1A1 (0.52) | ALDH1A1CYP3A4MAPK1TDP1PSMD14 | |
| Hydrochloric Acid SCHEMBL7714474 | 0.86 | ALDH1A1 (0.52) | MAOAMAOBALDH1A1CYP3A4MAPK1 | |
| Hydrochloric Acid SCHEMBL8756114 | 0.86 | ALDH1A1 (0.52) | MAOAMAOBALDH1A1CYP3A4MAPK1 | |
| SCHEMBL33796 | 0.86 | ALDH1A1 (0.52) | ALDH1A1CYP3A4MAPK1TDP1PSMD14 |
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-8197722-B2 | Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state | THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2012-06-12 | — | — | US | disclosed |