Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 13/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 9/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 9/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 6/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 6/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 6/20 | 0.43 |
| ▸ | PPIB | P23284 | 1/20 | 0.43 |
| ▸ | NSD2 | O96028 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18322326 | 0.81 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL10055041 | 0.78 | ALDH1A1 (0.49) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL6961451 | 0.72 | PPIB (0.57) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL27521660 | 0.70 | NPSR1 (0.50) | CYP1A2CYP2D6CYP2C9CYP2C19HDAC6 | |
| SCHEMBL29603842 | 0.70 | HDAC1 (0.76) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL675168 | 0.70 | HDAC1 (0.76) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL5380506 | 0.70 | HDAC1 (0.33) | HDAC1HDAC6HDAC3HDAC2HDAC10 | |
| SCHEMBL2362869 | 0.70 | HDAC1 (0.54) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL16684997 | 0.70 | POLB (0.47) | TSHRCYP2C19KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL27482363 | 0.69 | CA1 (0.47) | CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007017728-A2 | NOVEL HETEROCYCLIC COMPOUNDS | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2007-02-15 | — | — | WO | disclosed |