Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.52 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1127579 | 0.91 | CYP1A2 (0.52) | CYP1A1CYP1A2CYP1B1CALM1TSHR | |
| SCHEMBL3088081 | 0.88 | CYP1A2 (0.50) | CYP1A1CYP1A2CYP1B1CALM1TSHR | |
| SCHEMBL4406066 | 0.83 | CYP1A2 (0.46) | CYP1A1CYP1A2CYP1B1CALM1TSHR | |
| SCHEMBL28309638 | 0.77 | TP53 (0.46) | CYP1A1CYP1A2CYP1B1CALM1TSHR | |
| SCHEMBL1127627 | 0.77 | FNTA (0.54) | CYP1A2IDO1CA1CA2CA9 | |
| SCHEMBL28309640 | 0.75 | TP53 (0.44) | CYP1A1CYP1A2CYP1B1CALM1TSHR | |
| Cyanide SCHEMBL27637125 | 0.73 | ALDH1A1 (0.58) | CALM1ALDH1A1LOXL2MAOBHPGD | |
| Diphenylmethane SCHEMBL10486654 | 0.73 | CALM1 (0.80) | CALM1TSHRALDH1A1LOXL2IDO1 | |
| Bisbenzyldiselenide SCHEMBL441260 | 0.73 | CYP1A1 (0.52) | CYP1A1CYP1A2CYP1B1CALM1TSHR | |
| SCHEMBL4954855 | 0.72 | CYP1A1 (0.52) | CYP1A1CYP1A2CYP1B1CALM1TSHR |
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-2020057632-A1 | SELENOCYANATE COMPOUND AND USE THEREOF | 深圳福山生物科技有限公司 | 2020-03-26 | — | — | WO | disclosed |