Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL346398 | 0.83 | HDAC3 (0.48) | CA2CYP2A6HDAC3HDAC4HDAC1 | |
| SCHEMBL29576829 | 0.83 | HDAC3 (0.48) | CA2CYP2A6HDAC3HDAC4HDAC1 | |
| SCHEMBL264791 | 0.81 | CYP2A6 (0.52) | CA2CYP2A6HDAC3HDAC4HDAC1 | |
| Lithium SCHEMBL31322481 | 0.79 | CYP2A6 (0.50) | CA2CYP2A6HDAC3HDAC4HDAC1 | |
| Carbazole SCHEMBL28454963 | 0.76 | ALDH1A1 (0.48) | MAPTCNR1GPR3 | |
| SCHEMBL28744583 | 0.75 | CYP2A6 (0.50) | CA2CYP2A6HDAC3HDAC4HDAC1 | |
| SCHEMBL17010957 | 0.70 | NQO1 (0.47) | CA2CYP2A6CNR2ASIC3LOXL2 | |
| SCHEMBL29378233 | 0.70 | NQO1 (0.47) | CA2CYP2A6CNR2ASIC3LOXL2 | |
| SCHEMBL14692993 | 0.70 | CYP2A6 (0.38) | CYP2A6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1801046 | 0.68 | CYP2A6 (0.37) | CA2CYP2A6CNR2ASIC3LOXL2 |
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-0584222-A4 | BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE | RHONE POULENC RORER INT (US) | 1994-07-06 | — | — | EP | disclosed |
| EP-0584222-A1 | BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE. | RHONE POULENC RORER INT (US) | 1994-03-02 | — | — | EP | disclosed |