Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 4/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | SCN1A | P35498 | 1/20 | 0.50 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.50 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29055579 | 0.97 | STS (0.63) | STSCA1CA2SMN1; SMN2NPC1 | |
| SCHEMBL4544921 | 0.93 | CA1 (0.60) | STSCA1CA2SMN1; SMN2NPC1 | |
| SCHEMBL12227845 | 0.88 | CA1 (0.55) | STSCA1CA2SMN1; SMN2NPC1 | |
| SCHEMBL17933785 | 0.88 | CA1 (0.55) | STSCA1CA2SMN1; SMN2NPC1 | |
| SCHEMBL6400376 | 0.88 | MAPK1 (0.56) | STSCA1CA2SMN1; SMN2NPC1 | |
| SCHEMBL1976081 | 0.87 | STS (0.62) | STSSMN1; SMN2NPC1RAB9AHTT | |
| SCHEMBL16429658 | 0.87 | ESR2 (0.55) | STSCA1CA2SMN1; SMN2NPC1 | |
| SCHEMBL7411400 | 0.85 | CA1 (0.51) | STSCA1CA2SMN1; SMN2NPC1 | |
| SCHEMBL29003894 | 0.85 | CA1 (0.51) | STSCA1CA2SMN1; SMN2NPC1 | |
| SCHEMBL29055580 | 0.85 | CA1 (0.51) | STSCA1CA2SMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993013073-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1993-07-08 | — | — | WO | disclosed |