Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19676832 | 0.85 | CYP1A2 (0.55) | CYP1A2ALDH1A1LMNAKDM4EGAA | |
| SCHEMBL18648501 | 0.85 | CYP1A2 (0.55) | CYP1A2ALDH1A1LMNAKDM4EGAA | |
| SCHEMBL7003252 | 0.80 | CYP1A2 (0.41) | CYP1A2ALDH1A1LMNACYP2A6CYP3A4 | |
| SCHEMBL17187834 | 0.80 | CYP1A2 (0.41) | CYP1A2ALDH1A1LMNACYP2A6CYP3A4 | |
| Hydrochloric Acid SCHEMBL2150791 | 0.79 | ALDH1A1 (0.41) | CYP1A2ALDH1A1LMNACYP2A6CYP3A4 | |
| SCHEMBL29367357 | 0.78 | ALDH1A1 (0.56) | CYP1A2ALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL335062 | 0.78 | ALDH1A1 (0.56) | CYP1A2ALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL29372643 | 0.78 | ALDH1A1 (0.56) | CYP1A2ALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL21538667 | 0.78 | ALDH1A1 (0.56) | CYP1A2ALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL128713 | 0.78 | ALDH1A1 (0.56) | CYP1A2ALDH1A1LMNAHPGDHSD17B10 |
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-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |