Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.55 |
| ▸ | RRM1 | P23921 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CDK4 | P11802 | 1/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9763042 | 1.00 | CYP1A2 (0.55) | CYP1A2CYP1A1CYP19A1RRM1LTA4H | |
| SCHEMBL9763041 | 0.91 | CYP1A1 (0.49) | CYP1A2CYP1A1CYP19A1RRM1LTA4H | |
| SCHEMBL9763045 | 0.91 | CYP1A1 (0.49) | CYP1A2CYP1A1CYP19A1RRM1LTA4H | |
| SCHEMBL9762942 | 0.90 | CYP1A2 (0.58) | CYP1A2CYP1A1CYP19A1RRM1LTA4H | |
| SCHEMBL23639023 | 0.86 | CYP1A1 (0.51) | CYP1A2CYP1A1CYP19A1MEN1KMT2A | |
| SCHEMBL9762617 | 0.86 | CYP1A1 (0.51) | CYP1A2CYP1A1CYP19A1MEN1KMT2A | |
| SCHEMBL25985066 | 0.79 | CYP1A1 (0.47) | CYP1A2CYP1A1CYP19A1KDM4EALDH1A1 | |
| SCHEMBL24633372 | 0.78 | CYP1A2 (0.57) | CYP1A2CYP1A1CYP19A1MEN1KMT2A | |
| SCHEMBL28441803 | 0.77 | CYP1A2 (0.73) | CYP1A2CYP1A1CYP19A1MEN1KMT2A | |
| SCHEMBL6582106 | 0.77 | GSK3B (0.60) | CYP1A2CYP1A1CYP19A1LTA4HEPHX2 |
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-4990505-A | Treating asthma, bronchitis; adrenergic stimulants | GLAXO GROUP LIMITED (GB) | 1991-02-05 | — | — | US | disclosed |