Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | AR | P10275 | 8/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL28358119 | 0.92 | AR (0.53) | ALDH1A1MAPTLMNAARNPC1 | |
| SCHEMBL28358173 | 0.90 | AR (0.49) | ALDH1A1ALOX12MAPTLMNAAR | |
| SCHEMBL28358274 | 0.89 | EPHX1 (0.59) | ALDH1A1ALOX12LMNAARNPC1 | |
| SCHEMBL28361919 | 0.89 | AR (0.49) | ALDH1A1MAPTLMNAARNPC1 | |
| SCHEMBL28358421 | 0.84 | ALDH1A1 (0.57) | ALDH1A1ALOX12MAPTLMNAAR | |
| SCHEMBL28361893 | 0.82 | S1PR1 (0.52) | ALDH1A1MAPTARNPC1RAB9A | |
| SCHEMBL28361972 | 0.81 | AR (0.47) | ALDH1A1MAPTARNPC1RAB9A | |
| SCHEMBL28358436 | 0.80 | AR (0.48) | ALDH1A1MAPTLMNAARNPC1 | |
| SCHEMBL25260257 | 0.80 | AR (0.58) | ARPGR | |
| SCHEMBL28361933 | 0.80 | KMT2A (0.50) | ALDH1A1MAPTLMNAARCYP1A2 |
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-110818631-B | Pyridine thiourea derivative and preparation method and application thereof | 奥锐特药业股份有限公司 | 2021-09-10 | — | — | CN | disclosed |
| CN-110818631-A | Pyridine thiourea derivative and preparation method and application thereof | 奥锐特药业股份有限公司 | 2020-02-21 | — | — | CN | disclosed |