Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CPB1 | P15086 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17391044 | 0.84 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1GLALMNA | |
| SCHEMBL17391096 | 0.84 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1GLALMNA | |
| SCHEMBL17391095 | 0.84 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1GLALMNA | |
| SCHEMBL5453543 | 0.83 | CA1 (0.49) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL15927893 | 0.83 | CA1 (0.49) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL23970542 | 0.83 | CA1 (0.49) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL18630954 | 0.83 | CA1 (0.49) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL23970385 | 0.83 | CA1 (0.49) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL5925105 | 0.83 | CA1 (0.49) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL15927903 | 0.83 | CA1 (0.49) | CA1CA2CA12CA9ALDH1A1 |
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-2007146230-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2007-12-21 | — | — | WO | disclosed |