Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.62 |
| ▸ | CA1 | P00915 | 3/20 | 0.62 |
| ▸ | CA2 | P00918 | 3/20 | 0.62 |
| ▸ | CA7 | P43166 | 3/20 | 0.62 |
| ▸ | CA9 | Q16790 | 3/20 | 0.62 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.62 |
| ▸ | ESR1 | P03372 | 1/20 | 0.62 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.62 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | NAMPT | P43490 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28753830 | 0.85 | CA1 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7641621 | 0.85 | ALDH1A1 (0.52) | CA1CA2KMT2AMEN1CYP1A2 | |
| SCHEMBL6665051 | 0.84 | CA12 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28753801 | 0.84 | CA1 (0.63) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10821032 | 0.84 | CA1 (0.69) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2623828 | 0.83 | RXRA (0.47) | PKMKMT2AMEN1CYP1A2MAPT | |
| SCHEMBL8960606 | 0.82 | HTT (0.57) | KMT2AMEN1HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL10287538 | 0.82 | CA12 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14281812 | 0.82 | CA12 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3134365 | 0.82 | ALDH1A1 (0.50) | KMT2AMEN1LMNAMAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7662910-B2 | Inhibitors for the soluble epoxide hydrolase | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-02-16 | — | — | US | disclosed |
| US-5614486-A | DIETHYL 1,4-CYCLOHEXANEDICARBOXYLATE | FIRMENICH SA (CH) | 1997-03-25 | — | — | US | disclosed |