Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | STAT6 | P42226 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9028816 | 0.81 | CASP3 (0.52) | CASP3CYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL8805612 | 0.78 | IDO1 (0.44) | CASP3CYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL20320387 | 0.78 | ALDH1A1 (0.46) | CASP3CYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL1198026 | 0.74 | MEN1 (0.52) | CASP3ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL28402665 | 0.74 | HSD17B1 (0.53) | CYP1A2CYP2C9CYP2C19ALDH1A1NPC1 | |
| SCHEMBL31385333 | 0.72 | NOTUM (0.46) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL2245424 | 0.71 | S1PR1 (0.57) | CASP3ALDH1A1NPC1RAB9ANPSR1 | |
| SCHEMBL3877409 | 0.71 | DPP4 (0.44) | CASP3CYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL30566776 | 0.71 | S1PR1 (0.57) | CASP3ALDH1A1NPC1RAB9ANPSR1 | |
| SCHEMBL14338262 | 0.70 | IDO1 (0.56) | CYP1A2CYP2C9CYP2C19NPC1RAB9A |
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-109942505-B | Isothiazolinone compounds and corresponding use | 华东理工大学 | 2021-08-27 | — | — | CN | disclosed |