Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.48 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HTR1B | P28222 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL27585794 | 0.87 | L3MBTL1 (0.48) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL4630055 | 0.85 | EPHX1 (0.54) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL27378275 | 0.84 | CA12 (0.52) | CA12CA1CA2GLACA3 | |
| Octane SCHEMBL9194897 | 0.84 | EPHX1 (0.58) | SIGMAR1ESR1KMT2AL3MBTL1MEN1 | |
| Phenol SCHEMBL3852370 | 0.84 | EPHX1 (0.58) | SIGMAR1ESR1KMT2AL3MBTL1MEN1 | |
| Phenol SCHEMBL1833799 | 0.82 | GLA (0.50) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL29145955 | 0.80 | CA12 (0.48) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL1838258 | 0.80 | CA12 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL10394593 | 0.80 | CA12 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28230816 | 0.80 | CA12 (0.69) | CA12CA1CA2GLACA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104093408-A | PI3K inhibitors for treating fibrotic diseases | GLAXOSMITHKLINE IP NO 2 LTD | 2014-10-08 | — | — | CN | disclosed |
| CN-104093407-A | PI3K inhibitors for the treatment of cough | GLAXOSMITHKLINE IP NO 2 LTD | 2014-10-08 | — | — | CN | disclosed |
| CN-1863532-A | Azaspiroalkane derivatives as metalloproteinase inhibitors | INCYTE COPORATION (US) | 2006-11-15 | — | — | CN | disclosed |