Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.36 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16044075 | 0.90 | SRD5A1 (0.47) | SRD5A1SRD5A2PARP11TSHRALDH1A1 | |
| SCHEMBL29809412 | 0.90 | SRD5A1 (0.47) | SRD5A1SRD5A2PARP11TSHRALDH1A1 | |
| SCHEMBL10773358 | 0.83 | ALDH1A1 (0.36) | HSD17B10TSHRALDH1A1 | |
| SCHEMBL5515193 | 0.77 | ALDH1A1 (0.55) | SRD5A2HTTHSD17B10MAOATSHR | |
| SCHEMBL6660057 | 0.76 | AKR1B1 (0.39) | AKR1B1SRD5A1SRD5A2PARP11HTT | |
| SCHEMBL7127913 | 0.76 | AKR1B1 (0.42) | AKR1B1SRD5A1SRD5A2PARP11TSHR | |
| SCHEMBL2990486 | 0.76 | TSHR (0.42) | HSD17B10TSHRALDH1A1NPC1RAB9A | |
| SCHEMBL1466332 | 0.74 | RXRB (0.42) | HSD17B10TSHRALDH1A1CA1CA2 | |
| SCHEMBL17656348 | 0.74 | ALDH1A1 (0.41) | HSD17B10TSHRALDH1A1 | |
| SCHEMBL25188872 | 0.73 | GRM5 (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4096154-A | FORMING A SULFONIUM SALT BY REACTION OF A HALOGEN AS ESTER WITH AN ORGANIC SULFIDE | CIBA-GEIGY CORPORATION (US) | 1978-06-20 | — | — | US | disclosed |
| US-4016203-A | Process for the manufacture of compounds containing vinyl groups | CIBA-GEIGY CORPORATION (US) | 1977-04-05 | — | — | US | disclosed |
| US-4013713-A | OPTICAL BRIGHTENERS | CIBA-GEIGY CORPORATION (US) | 1977-03-22 | — | — | US | disclosed |