Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | NMT1 | P30419 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL28816742 | 0.88 | ALDH1A1 (0.79) | ALDH1A1TSHRHTR2CSLC6A2SLC6A3 | |
| SCHEMBL28026009 | 0.87 | ALDH1A1 (0.63) | ALDH1A1NMT1TSHRHTR2CSLC6A2 | |
| SCHEMBL28049319 | 0.87 | ALDH1A1 (0.63) | ALDH1A1NMT1TSHRHTR2CSLC6A2 | |
| Benzyl Carbamate SCHEMBL9523942 | 0.85 | HTR2C (0.48) | ALDH1A1NMT1TSHRHTR2CSLC6A2 | |
| SCHEMBL28030486 | 0.85 | ALDH1A1 (0.59) | ALDH1A1NMT1TSHRHTR2CSLC6A2 | |
| SCHEMBL28073264 | 0.85 | ALDH1A1 (0.59) | ALDH1A1NMT1TSHRHTR2CSLC6A2 | |
| SCHEMBL28832220 | 0.85 | ALDH1A1 (0.59) | ALDH1A1NMT1TSHRHTR2CNPC1 | |
| Pyrrolidine SCHEMBL28053584 | 0.84 | ALDH1A1 (0.73) | ALDH1A1TSHRHTR2CSLC6A2SLC6A3 | |
| Azetidine SCHEMBL28049251 | 0.84 | ALDH1A1 (0.79) | ALDH1A1TSHRHTR2CSLC6A2SLC6A3 | |
| SCHEMBL28819055 | 0.84 | ALDH1A1 (0.55) | ALDH1A1NMT1TSHRHTR2CNPC1 |
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-109879859-A | COT regulator and its application method | 吉利德科学公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-107922390-B | COT modulators and methods of use thereof | 吉利德科学公司 | 2019-05-10 | — | — | CN | disclosed |