Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 3/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | IGF1R | P08069 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14346666 | 0.78 | CYP1A2 (0.52) | CYP1A2CYP2A6TAAR1IDO1HRH3 | |
| SCHEMBL8711132 | 0.77 | CYP1A2 (0.50) | CYP1A2CYP2A6TAAR1TDP1ALOX15 | |
| SCHEMBL21628358 | 0.76 | CYP1A2 (0.56) | CYP1A2CYP2A6TAAR1IDO1HRH3 | |
| SCHEMBL11288839 | 0.76 | CYP1A2 (0.68) | CYP1A2CYP2A6TAAR1IDO1HRH3 | |
| SCHEMBL143961 | 0.76 | CYP1A2 (0.68) | CYP1A2CYP2A6TAAR1IDO1HRH3 | |
| SCHEMBL14702015 | 0.74 | CYP1A2 (0.48) | CYP1A2CYP2A6TAAR1IDO1HRH3 | |
| SCHEMBL12506243 | 0.72 | TDP1 (0.59) | CYP1A2CYP2A6TAAR1KCNH2TDP1 | |
| SCHEMBL4037603 | 0.72 | TAAR1 (0.64) | CYP1A2CYP2A6TAAR1IDO1HRH3 | |
| SCHEMBL5609800 | 0.72 | CYP1A2 (0.56) | CYP1A2CYP2A6TAAR1IDO1HRH3 | |
| SCHEMBL3022199 | 0.72 | TDP1 (0.59) | CYP1A2CYP2A6TAAR1KCNH2TDP1 |
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-4476133-A | CENTRAL NERVOUS SYSTEM DISORDERS | SHIONOGI & CO., LTD. (JP) | 1984-10-09 | — | — | US | disclosed |
| US-4374842-A | CENTRAL NERVOUS SYSTEM | SHIONOGI & CO., LTD. (JP) | 1983-02-22 | — | — | US | disclosed |