Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PGK1 | P00558 | 1/20 | 0.40 |
| ▸ | PGK2 | P07205 | 1/20 | 0.40 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10585176 | 0.85 | CYP3A4 (0.43) | PTGS2SLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL9506520 | 0.83 | TSHR (0.40) | SLC6A2SLC6A4SLC6A3TSHRPGK1 | |
| SCHEMBL18242301 | 0.83 | PTGS2 (0.46) | PTGS2SLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL11873206 | 0.83 | PTGS2 (0.45) | PTGS2SLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL598569 | 0.83 | CYP1A2 (0.45) | PTGS2SLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL31190190 | 0.83 | CYP1A2 (0.45) | PTGS2SLC6A2SLC6A4SLC6A3CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL3177650 | 0.81 | PTGS2 (0.44) | PTGS2SLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL13888659 | 0.81 | DAO (0.45) | PTGS2SLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL8897762 | 0.79 | PGK1 (0.44) | PTGS2CYP3A4TP53TSHRTDP1 | |
| SCHEMBL24779034 | 0.79 | PTGS2 (0.46) | PTGS2SLC6A2SLC6A4SLC6A3CYP3A4 |
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-101328144-B | Method for synthesizing indoline and derivates thereof | NINGBO INST TECH ZHEJIANG UNIV | 2011-01-19 | — | — | CN | disclosed |
| CN-101328144-A | Method for synthesizing indoline and derivates thereof | NINGBO INST TECH ZHEJIANG UNIV (CN) | 2008-12-24 | — | — | CN | disclosed |