Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 7/20 | 0.51 |
| ▸ | MAOB | P27338 | 7/20 | 0.51 |
| ▸ | CES1 | P23141 | 4/20 | 0.48 |
| ▸ | ROS1 | P08922 | 1/20 | 0.48 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.48 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.48 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.48 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GALR3 | O60755 | 1/20 | 0.44 |
| ▸ | TGM2 | P21980 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL28094131 | 0.89 | MAOA (0.51) | MAOAMAOBCES1ROS1CDK5 | |
| SCHEMBL2372316 | 0.88 | CES1 (0.58) | MAOAMAOBCES1ALDH1A1GALR3 | |
| SCHEMBL30120589 | 0.88 | CES1 (0.58) | MAOAMAOBCES1ALDH1A1GALR3 | |
| Hydrochloric Acid SCHEMBL11435666 | 0.86 | CES1 (0.57) | MAOAMAOBCES1ALDH1A1GALR3 | |
| SCHEMBL20442582 | 0.78 | CSNK1G1 (0.61) | CES1ROS1CDK5ACVR1LRRK2 | |
| SCHEMBL8202497 | 0.77 | ACVR1 (0.58) | MAOAMAOBROS1CDK5ACVR1 | |
| SCHEMBL1247409 | 0.75 | TGM2 (0.55) | MAOAMAOBCES1ALDH1A1TGM2 | |
| SCHEMBL4679100 | 0.75 | CES1 (0.55) | MAOAMAOBCES1GALR3TGM2 | |
| SCHEMBL30541907 | 0.75 | TGM2 (0.55) | MAOAMAOBCES1ALDH1A1TGM2 | |
| SCHEMBL28878753 | 0.75 | CES1 (0.55) | MAOAMAOBCES1GALR3TGM2 |
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-105906544-B | A kind of S type 3- hydroxyl -3- alkynyl oxidized indole compounds and its synthetic method and application | 上海交通大学 | 2018-11-16 | — | — | CN | disclosed |
| CN-105906544-A | S-type 3-hydroxy-3-alkynyloxoindole compound and synthetic method and application thereof | 上海交通大学 | 2016-08-31 | — | — | CN | disclosed |