Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | MECP2 | P51608 | 1/20 | 0.30 |
| ▸ | MBD2 | Q9UBB5 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6657790 | 0.77 | CYP1A2 (0.37) | TAAR1CYP1A2CYP2C19KDM4EL3MBTL1 | |
| Hydrochloric Acid SCHEMBL7766701 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL5091217 | 0.63 | CYP2A6 (0.38) | TAAR1CYP1A2CYP2C19KDM4EL3MBTL1 | |
| SCHEMBL31530496 | 0.63 | ALOX12 (0.38) | CYP1A2CYP2C19KDM4EL3MBTL1ALOX12 | |
| SCHEMBL8682597 | 0.63 | CYP1A2 (0.39) | TAAR1CYP1A2CYP2C19KDM4EL3MBTL1 | |
| Hydrochloric Acid SCHEMBL5872675 | 0.62 | CYP2A6 (0.34) | TAAR1CYP1A2CYP2C19KDM4EL3MBTL1 | |
| Hydrochloric Acid SCHEMBL5872697 | 0.62 | CYP2A6 (0.34) | TAAR1CYP1A2CYP2C19KDM4EL3MBTL1 | |
| SCHEMBL8519871 | 0.62 | ALDH1A1 (0.33) | CYP1A2CYP2C19KDM4ETDP1 | |
| SCHEMBL28513527 | 0.61 | CYP1A2 (0.50) | CYP1A2CYP2C19KDM4ETDP1 | |
| Hydrochloric Acid SCHEMBL8357759 | 0.61 | CYP1A2 (0.35) | TAAR1CYP1A2CYP2C19HTR1AHTR7 |
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-0856506-A1 | Process of preparing 2-alkyl-2,3-dihydro-1H-benz(e)indene-1-one derivatives | Akzo Nobel N.V. (NL) | 1998-08-05 | — | — | EP | claimed |
| EP-0856506-A1 | Process of preparing 2-alkyl-2,3-dihydro-1H-benz(e)indene-1-one derivatives | Akzo Nobel N.V. (NL) | 1998-08-05 | — | — | EP | disclosed |