Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PRKCA | P17252 | 1/20 | 0.43 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.41 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.40 |
| ▸ | LNPEP | Q9UIQ6 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9458329 | 0.95 | ALDH1A1 (0.55) | TSHRALDH1A1CA12CA1CA2 | |
| SCHEMBL9458665 | 0.94 | ALDH1A1 (0.57) | TSHRALDH1A1KMT2AKDM4EL3MBTL1 | |
| SCHEMBL9458305 | 0.94 | ALDH1A1 (0.57) | TSHRALDH1A1KMT2AKDM4EL3MBTL1 | |
| SCHEMBL9458991 | 0.90 | TSHR (0.46) | TSHRALDH1A1PRKCAPRKCDCA12 | |
| SCHEMBL28204395 | 0.89 | ALDH1A1 (0.43) | TSHRALDH1A1MAPK1PRKCAPRKCD | |
| SCHEMBL7870401 | 0.89 | TSHR (0.56) | TSHRALDH1A1MAPK1PRKCAPRKCD | |
| SCHEMBL9698645 | 0.88 | ALDH1A1 (0.51) | TSHRALDH1A1MAPK1CA12CA1 | |
| SCHEMBL6933481 | 0.88 | ALDH1A1 (0.51) | TSHRALDH1A1MAPK1CA12CA1 | |
| SCHEMBL6874926 | 0.87 | ALDH1A1 (0.50) | TSHRALDH1A1KMT2AKDM4EL3MBTL1 | |
| SCHEMBL9799464 | 0.86 | THRA (0.56) | TSHRALDH1A1 |
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-5230828-A | NAPHTHALENEDICARBOXYLIC ACID ESTERS | HOFFMANN-LA ROCHE INC. (US) | 1993-07-27 | — | — | US | disclosed |