Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.47 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CTSB | P07858 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL57910 | 0.96 | PDE10A (0.56) | PDE10APOLBMEN1KMT2ARAB9A | |
| SCHEMBL9936980 | 0.96 | PDE10A (0.56) | PDE10APOLBMEN1KMT2ARAB9A | |
| Bromide SCHEMBL27900894 | 0.94 | PDE10A (0.55) | PDE10APOLBMEN1KMT2ARAB9A | |
| Ammonia Solution, Strong SCHEMBL28729548 | 0.94 | PDE10A (0.55) | PDE10APOLBMEN1KMT2ARAB9A | |
| Hydrochloric Acid SCHEMBL2173960 | 0.94 | PDE10A (0.55) | PDE10APOLBMEN1KMT2ARAB9A | |
| Acetic Acid SCHEMBL29111017 | 0.86 | MEN1 (0.49) | PDE10APOLBMEN1KMT2ARAB9A | |
| SCHEMBL1648667 | 0.83 | MAPT (0.49) | PDE10APOLBMEN1KMT2ARAB9A | |
| Piperidine SCHEMBL27606158 | 0.82 | CYP1A2 (0.50) | PDE10APOLBMEN1KMT2ARAB9A | |
| SCHEMBL8402283 | 0.80 | ALDH1A1 (0.50) | PDE10APOLBMEN1KMT2ARAB9A | |
| SCHEMBL7146668 | 0.76 | NPC1 (0.51) | POLBMEN1KMT2ARAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108558746-A | A kind of synthetic method of Nitro-PAPS | 湖南师范大学 | 2018-09-21 | — | — | CN | claimed |
| CN-108558746-A | A kind of synthetic method of Nitro-PAPS | 湖南师范大学 | 2018-09-21 | — | — | CN | disclosed |