Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 3/20 | 0.38 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29463895 | 0.83 | ALDH1A1 (0.47) | CA12CA1CES1CES2AKR1B1 | |
| SCHEMBL27477234 | 0.81 | ALDH1A1 (0.46) | CA12CA1CA7CA14NPC1 | |
| SCHEMBL6178741 | 0.79 | MAOB (0.41) | CA12CA1CA7CA14ALDH1A1 | |
| SCHEMBL7324968 | 0.77 | ALDH1A1 (0.45) | CES1CES2AKR1B1TSHRNPC1 | |
| SCHEMBL7516432 | 0.77 | MAPT (0.47) | CES1NPC1RAB9AMAPK1MAPT | |
| SCHEMBL1346095 | 0.76 | TSHR (0.56) | CA12CA1CA7CA14CES1 | |
| SCHEMBL3251246 | 0.73 | ALDH1A1 (0.44) | CA12CA1CES1CES2AKR1B1 | |
| SCHEMBL4804794 | 0.73 | CES2 (0.50) | CA12CA1CES1CES2AKR1B1 | |
| SCHEMBL10906861 | 0.73 | CTBP2 (0.47) | CA12CA1CA7CA14CES1 | |
| SCHEMBL7278868 | 0.73 | CES1 (0.57) | CA12CA1CA7CA14CES1 |
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-116514621-B | Method for constructing C-C bond at ortho-position of aryl by metal-catalyzed sulfur ylide and aryl sulfur/selenoacetic acid ester rearrangement reaction | 四川大学 | 2024-04-09 | — | — | CN | disclosed |
| CN-116514621-A | Method for constructing C-C bond at ortho-position of aryl by metal-catalyzed sulfur ylide and aryl sulfur/selenoacetic acid ester rearrangement reaction | 四川大学 | 2023-08-01 | — | — | CN | disclosed |