Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 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 | |
|---|---|---|---|---|
| SCHEMBL12963223 | 0.83 | AR (0.54) | PTGS2ACHEMAPTCYP3A4CA9 | |
| SCHEMBL11104445 | 0.81 | KDM4E (0.44) | MAPTALDH1A1PKMTDP1 | |
| SCHEMBL9111455 | 0.81 | PTGS2 (0.47) | PTGS2ACHEMAPTCYP3A4CA9 | |
| SCHEMBL11162193 | 0.79 | HTR2A (0.55) | PTGS2ACHEMAPTCYP3A4CA9 | |
| SCHEMBL14661431 | 0.79 | TAAR1 (0.50) | HTR2A | |
| SCHEMBL2759472 | 0.78 | AR (0.49) | ACHEMAPTCYP3A4CA9ALDH1A1 | |
| SCHEMBL12932841 | 0.78 | PTGS2 (0.44) | PTGS2ACHEMAPTCYP3A4CA9 | |
| SCHEMBL9832718 | 0.78 | PTGS2 (0.44) | PTGS2ACHEMAPTCYP3A4CA9 | |
| SCHEMBL2545682 | 0.77 | ACHE (0.56) | PTGS2ACHEMAPTCYP3A4CA9 | |
| SCHEMBL5094631 | 0.77 | ACHE (0.56) | PTGS2ACHEMAPTCYP3A4CA9 |
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-2003024448-A2 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE, INC. (CA) | 2003-03-27 | — | — | WO | disclosed |