Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | TTR | P02766 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | PRKDC | P78527 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10943728 | 0.97 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2TSHRMAPK1NPC1 | |
| SCHEMBL10942167 | 0.94 | NPC1 (0.54) | ALDH1A1SMN1; SMN2TSHRMAPK1NPC1 | |
| SCHEMBL10458497 | 0.93 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2TSHRMAPK1NPC1 | |
| SCHEMBL9680462 | 0.92 | NPC1 (0.57) | ALDH1A1SMN1; SMN2TSHRMAPK1NPC1 | |
| SCHEMBL10941245 | 0.88 | NPC1 (0.45) | ALDH1A1SMN1; SMN2TSHRMAPK1NPC1 | |
| SCHEMBL9681099 | 0.87 | SMN1; SMN2 (0.52) | ALDH1A1SMN1; SMN2TSHRMAPK1NPC1 | |
| SCHEMBL10941375 | 0.85 | NPC1 (0.48) | ALDH1A1SMN1; SMN2TSHRMAPK1NPC1 | |
| SCHEMBL10942867 | 0.83 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E | |
| SCHEMBL10942241 | 0.83 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2TSHRMAPK1NPC1 | |
| SCHEMBL10947125 | 0.83 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2TSHRMAPK1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4496447-A | PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS AND FOR CURING PRINTING INKS | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1985-01-29 | — | — | US | disclosed |
| US-4374984-A | Aromatic-aliphatic ketones useful as photoinitiators | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1983-02-22 | — | — | US | disclosed |