Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | HPGD | P15428 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | THPO | P40225 | 1/20 | 0.61 |
| ▸ | MTOR | P42345 | 1/20 | 0.61 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.61 |
| ▸ | RELA | Q04206 | 1/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Pyrrolidine Dithiocarbamate SCHEMBL7950575 | 0.98 | ALDH1A1 (0.64) | ALDH1A1HPGDMAPTCYP2C9HSD17B10 | |
| SCHEMBL6040453 | 0.81 | ALDH1A1 (0.93) | ALDH1A1HPGDMAPTCYP2C9HSD17B10 | |
| SCHEMBL5678092 | 0.81 | — | — | |
| SCHEMBL22635869 | 0.80 | ALDH1A1 (0.52) | ALDH1A1HPGDMAPTCYP2C9HSD17B10 | |
| SCHEMBL27899191 | 0.78 | ALDH1A1 (0.88) | ALDH1A1HPGDMAPTCYP2C9HSD17B10 | |
| SCHEMBL27958612 | 0.78 | ALDH1A1 (0.88) | ALDH1A1HPGDMAPTCYP2C9HSD17B10 | |
| SCHEMBL27745710 | 0.78 | ALDH1A1 (0.88) | ALDH1A1HPGDMAPTCYP2C9HSD17B10 | |
| SCHEMBL27395826 | 0.78 | ALDH1A1 (0.88) | ALDH1A1HPGDMAPTCYP2C9HSD17B10 | |
| SCHEMBL27898892 | 0.78 | ALDH1A1 (0.88) | ALDH1A1HPGDMAPTCYP2C9HSD17B10 | |
| Pyrrolidine Dithiocarbamate SCHEMBL322100 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5015752-A | Reaction of secondary amine with carbon disulfide and sulfur | AKZO N.V. (NL) | 1991-05-14 | — | — | US | disclosed |