Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | TRPM8 | Q7Z2W7 | 5/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1629579 | 0.89 | TRPM8 (0.57) | ALDH1A1TDP1L3MBTL1MAPTTRPM8 | |
| SCHEMBL28449476 | 0.82 | TRPM8 (0.47) | ALDH1A1TDP1L3MBTL1TRPM8NPSR1 | |
| SCHEMBL22196912 | 0.82 | TRPM8 (0.47) | ALDH1A1TDP1L3MBTL1MAPTTRPM8 | |
| SCHEMBL25797681 | 0.82 | TRPM8 (0.47) | ALDH1A1TDP1L3MBTL1MAPTTRPM8 | |
| SCHEMBL18763031 | 0.82 | TRPM8 (0.47) | ALDH1A1TDP1L3MBTL1KDM4EMAPT | |
| SCHEMBL27588424 | 0.81 | MAPT (0.32) | ALDH1A1TDP1CYP3A4MAPTTRPM8 | |
| Styrene SCHEMBL2231382 | 0.80 | TRPM8 (0.58) | ALDH1A1TDP1L3MBTL1TRPM8NPSR1 | |
| SCHEMBL4903337 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TDP1L3MBTL1KDM4ECYP3A4 | |
| SCHEMBL7864460 | 0.77 | NPSR1 (0.46) | ALDH1A1TDP1L3MBTL1CYP3A4CYP2C9 | |
| SCHEMBL11823197 | 0.77 | ALDH1A1 (0.56) | ALDH1A1TDP1L3MBTL1KDM4ECYP1A2 |
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-105683257-B | Addition-fragmentation oligomers containing allyl disulfide | 3M创新有限公司 | 2018-02-13 | — | — | CN | disclosed |