Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.65 |
| ▸ | TSHR | P16473 | 4/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.65 |
| ▸ | HPGD | P15428 | 4/20 | 0.65 |
| ▸ | CASP1 | P29466 | 3/20 | 0.65 |
| ▸ | CASP7 | P55210 | 2/20 | 0.65 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.48 |
| ▸ | ATM | Q13315 | 3/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16200908 | 0.83 | ALDH1A1 (0.58) | ALDH1A1HSD17B10TSHRMAPK1HPGD | |
| SCHEMBL4853854 | 0.81 | ALDH1A1 (0.90) | ALDH1A1HSD17B10TSHRMAPK1HPGD | |
| Benzo(K)Fluoranthene SCHEMBL29393074 | 0.80 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TSHRMAPK1HPGD | |
| Benzo(K)Fluoranthene SCHEMBL175484 | 0.80 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TSHRMAPK1HPGD | |
| SCHEMBL2580472 | 0.75 | CYP2A6 (0.84) | ALDH1A1HSD17B10HPGDCASP1CASP7 | |
| SCHEMBL1310942 | 0.75 | CYP2A6 (0.84) | ALDH1A1HSD17B10HPGDCASP1CASP7 | |
| SCHEMBL8789837 | 0.75 | CYP2A6 (0.84) | ALDH1A1HSD17B10HPGDCASP1CASP7 | |
| SCHEMBL3717126 | 0.73 | CYP1A2 (0.64) | ALDH1A1TSHRMAPK1CASP1CASP7 | |
| SCHEMBL935337 | 0.73 | CYP2A6 (1.00) | ALDH1A1HSD17B10CYP1A2CYP2A6L3MBTL1 | |
| SCHEMBL18087081 | 0.73 | CYP2A6 (1.00) | ALDH1A1HSD17B10CYP1A2CYP2A6L3MBTL1 |
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-1221044-A2 | MONOFLUORINATED POLYCYCLIC AROMATIC COMPOUNDS AND THE USE THEREOF AS ADDITIVE POLYCYCLIC AROMATIC COMPOUNDS IN PHYSICAL, CHEMICAL AND BIOLOGICAL PROCESSES | Luthe, Gregor (DE) | 2002-07-10 | — | — | EP | disclosed |
| WO-2001029555-A2 | MONOFLUORINATED POLYCYCLIC AROMATIC COMPOUNDS AND THE USE THEREOF AS ADDITIVE POLYCYCLIC AROMATIC COMPOUNDS | LUTHE GREGOR (DE) | 2001-04-26 | — | — | WO | disclosed |