Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | TPMT | P51580 | 2/20 | 0.38 |
| ▸ | HK1 | P19367 | 1/20 | 0.38 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15615318 | 0.84 | CA12 (0.56) | NPC1L3MBTL1CA12CA1CA2 | |
| SCHEMBL8979351 | 0.77 | CNR2 (0.56) | ALDH1A1TSHRTDP1NPC1RAB9A | |
| SCHEMBL30570165 | 0.77 | CNR2 (0.56) | ALDH1A1TSHRTDP1NPC1RAB9A | |
| SCHEMBL27866773 | 0.75 | HTR3E (0.40) | ALDH1A1TSHRNPC1RAB9AL3MBTL1 | |
| SCHEMBL29317288 | 0.75 | ESR1 (0.45) | ALDH1A1TSHRTDP1NPC1RAB9A | |
| SCHEMBL20908985 | 0.75 | CNR1 (0.41) | TDP1CA12CA1CA2CA7 | |
| SCHEMBL8088168 | 0.75 | CNR2 (0.63) | ALDH1A1NPC1RAB9ACNR1CNR2 | |
| SCHEMBL7589274 | 0.74 | CA12 (0.62) | NPC1CA12CA1CA2CA7 | |
| SCHEMBL2662880 | 0.74 | CA12 (0.62) | TSHRNPC1L3MBTL1CA12CA1 | |
| SCHEMBL2172133 | 0.74 | TPMT (0.70) | ALDH1A1TSHRCA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2586769-B1 | METHOD FOR PRODUCING (1R, 2S)-1-AMINO-2-VINYL CYCLOPROPANE CARBOXYLIC ACID ESTER THAT HAS IMPROVED OPTICAL PURITY | KANEKA CORP (JP) | 2019-01-16 | — | — | EP | disclosed |