Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ELANE | P08246 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | KYNU | Q16719 | 1/20 | 0.47 |
| ▸ | KLK1 | P06870 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9155285 | 0.89 | CA12 (0.55) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL20997315 | 0.83 | CA12 (0.49) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL28537302 | 0.83 | CA12 (0.55) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL15720647 | 0.80 | CA12 (0.63) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL119805 | 0.79 | CA12 (0.67) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL13537616 | 0.79 | LMNA (0.59) | ALDH1A1NPC1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL10960131 | 0.79 | ALDH1A1 (0.53) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL7300801 | 0.78 | ELANE (0.53) | CA12CA1CA2CA9ELANE | |
| SCHEMBL7368155 | 0.78 | MEN1 (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL7764162 | 0.78 | CA12 (0.65) | CA12CA1CA2CA9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5420328-A | Esterification with alcohol and hydrolysis | AFFYMAX TECHNOLOGIES, N.V. (AN) | 1995-05-30 | — | — | US | disclosed |
| US-5359115-A | Reacting phosphonic monoester with dialkylazodicarboxylate, triphenylphosphine and secondary alcohol to form diester, hydrolyzing selective ester to form monoester, coupling an aminoacid to yield peptidylphosphonate | AFFYMAX TECHNOLOGIES, N.V. (US) | 1994-10-25 | — | — | US | disclosed |
| CN-1069976-A | Hexanaphthene and tetrahydropyran derivatives | HOFFMANN LA ROCHE (CH) | 1993-03-17 | — | — | CN | disclosed |