Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29613904 | 0.84 | TSHR (0.72) | TSHRCYP3A4ALDH1A1RECQLHSD17B10 | |
| SCHEMBL171914 | 0.84 | TSHR (0.72) | TSHRCYP3A4ALDH1A1RECQLHSD17B10 | |
| 4-Nitrotoluene SCHEMBL28210309 | 0.78 | HSD17B10 (0.64) | TSHRCYP3A4ALDH1A1HSD17B10TDP1 | |
| SCHEMBL29037931 | 0.77 | TSHR (0.77) | TSHRCYP3A4ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL11901213 | 0.77 | TSHR (0.62) | TSHRCYP3A4ALDH1A1RECQLHSD17B10 | |
| O-Tolylamine SCHEMBL25436024 | 0.77 | TDP1 (0.71) | TSHRCYP3A4ALDH1A1RECQLHSD17B10 | |
| Nitrophenolate SCHEMBL27262880 | 0.77 | TSHR (0.53) | TSHRCYP3A4ALDH1A1RECQLHSD17B10 | |
| SCHEMBL98492 | 0.77 | TSHR (1.00) | TSHRCYP3A4ALDH1A1RECQLHSD17B10 | |
| 2,5-Xylidine SCHEMBL27949130 | 0.77 | TDP1 (0.77) | CYP3A4ALDH1A1HSD17B10TDP1SMN1; SMN2 | |
| Ethylene Glycol SCHEMBL20567147 | 0.76 | TSHR (0.60) | TSHRCYP3A4ALDH1A1RECQLHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109890206-A | Anil that 4- is substituted and its plant pathogenic microorganisms being not intended in confrontation are with the purposes on cover crop | 印度商皮埃企业有限公司 | 2019-06-14 | — | — | CN | disclosed |