Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27701331 | 0.77 | MCL1 (0.57) | KDM4ECYP1A2HDAC3HDAC1HDAC2 | |
| Pyrazinamide SCHEMBL10463942 | 0.71 | ADORA3 (0.60) | KDM4ECYP1A2CYP3A4CYP2C19HDAC3 | |
| SCHEMBL27681897 | 0.71 | HDAC3 (0.78) | KDM4ECYP1A2CYP3A4CYP2C19HDAC3 | |
| SCHEMBL27701329 | 0.71 | SMN1; SMN2 (0.55) | KDM4ETHRBCYP1A2CYP2C19HDAC3 | |
| SCHEMBL27681896 | 0.69 | HDAC3 (0.58) | KDM4ECYP1A2CYP2C19HDAC3HDAC1 | |
| SCHEMBL27372885 | 0.68 | TAAR1 (0.37) | KDM4EALDH1A1 | |
| SCHEMBL27701359 | 0.68 | RAB9A (0.63) | KDM4EHTTALDH1A1SMN1; SMN2POLB | |
| Pyrazine Carboxylic Acid Hydrazide SCHEMBL107341 | 0.65 | ADORA3 (0.61) | KDM4ECYP1A2CYP2C19HDAC3HDAC1 | |
| SCHEMBL28768801 | 0.64 | MEN1 (0.56) | KDM4ESMN1; SMN2POLBHSP90AA1TDP1 | |
| SCHEMBL21968332 | 0.64 | KDM4E (0.74) | KDM4ELMNAALDH1A1SMN1; SMN2HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101087601-A | Compounds for inhibiting copper-containing amine oxidases and uses thereof | GENMEDICA THERAPEUTICS SL (ES) | 2007-12-12 | — | — | CN | disclosed |