Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.40 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL347056 | 0.79 | CYP1A2 (0.44) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL30785066 | 0.79 | CYP1A2 (0.44) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL28136648 | 0.77 | CYP1A2 (0.43) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL28421820 | 0.77 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Ammonia Solution, Strong SCHEMBL21314237 | 0.77 | CYP1A2 (0.43) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL1583760 | 0.77 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL29850141 | 0.77 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL1583765 | 0.77 | CYP1A2 (0.43) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Formaldehyde SCHEMBL11755336 | 0.76 | CYP1A2 (0.41) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL6339025 | 0.74 | ALDH1A1 (0.40) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018167677-A1 | NOVEL DITHIOLANE COMPOUND OR A SALT OR AN N-OXIDE AND USE THEREOF | OAT & IIL INDIA LABORATORIES PRIVATE LIMITED (IN) | 2018-09-20 | — | — | WO | disclosed |
| WO-2018138692-A1 | NOVEL FUNGICIDAL CARBAMATE COMPOUNDS | INSECTICIDES (INDIA) LIMITED (IN) | 2018-08-02 | — | — | WO | disclosed |
| WO-2018051252-A2 | NOVEL AMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, AND MITICIDE | INSECTICIDES (INDIA) LIMITED (IN) | 2018-03-22 | — | — | WO | disclosed |