Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.69 |
| ▸ | CES2 | O00748 | 1/20 | 0.69 |
| ▸ | NPC1 | O15118 | 3/20 | 0.64 |
| ▸ | RAB9A | P51151 | 3/20 | 0.64 |
| ▸ | POLB | P06746 | 2/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.64 |
| ▸ | MITF | O75030 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | BCHE | P06276 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | CRHBP | P24387 | 1/20 | 0.56 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1813256 | 0.90 | CES1 (0.68) | CES1CES2POLBMEN1KMT2A | |
| Dinitrophenylene SCHEMBL27837226 | 0.87 | CES2 (0.68) | CES1CES2NPC1RAB9APOLB | |
| SCHEMBL27942494 | 0.84 | ALDH1A1 (0.52) | CES1CES2NPC1RAB9APOLB | |
| Benzoic Acid SCHEMBL27557362 | 0.83 | TDP1 (0.83) | CES1CES2NPC1RAB9APOLB | |
| Benzophenone SCHEMBL27490408 | 0.83 | POLB (0.79) | CES1CES2NPC1RAB9APOLB | |
| Benzil SCHEMBL27888964 | 0.83 | CES1 (0.96) | CES1CES2NPC1RAB9APOLB | |
| 4-Nitrobenzoic Acid SCHEMBL3850860 | 0.82 | TDP1 (0.88) | CES1CES2NPC1RAB9APOLB | |
| SCHEMBL229627 | 0.82 | POLB (0.82) | CES1CES2NPC1RAB9APOLB | |
| SCHEMBL1370034 | 0.82 | CES1 (1.00) | CES1CES2NPC1RAB9APOLB | |
| Benzophenone SCHEMBL28231509 | 0.82 | POLB (0.82) | CES1CES2NPC1RAB9APOLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-102351623-A | Method for increasing optical purity of chiral alkynol | PAPANNA BEIJING TECHNOLOGY CO LTD | 2012-02-15 | — | — | CN | claimed |