Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 6/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | ZDHHC20 | Q5W0Z9 | 2/20 | 0.35 |
| ▸ | ZDHHC2 | Q9UIJ5 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11704289 | 0.92 | ZDHHC20 (0.44) | ALDH1A1TP53TSHRFAAHZDHHC20 | |
| SCHEMBL11707427 | 0.92 | ZDHHC20 (0.44) | ALDH1A1TP53TSHRFAAHZDHHC20 | |
| SCHEMBL11702565 | 0.86 | — | — | |
| SCHEMBL11107651 | 0.83 | CA12 (0.39) | ALDH1A1CA12CA1CA9TSHR | |
| SCHEMBL927505 | 0.83 | CA12 (0.39) | ALDH1A1CA12CA1CA9TSHR | |
| SCHEMBL11688049 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TP53CA12CA1CA9 | |
| SCHEMBL2950233 | 0.81 | CA12 (0.38) | ALDH1A1CA12CA1CA9TSHR | |
| SCHEMBL29015023 | 0.81 | ZDHHC20 (0.45) | ALDH1A1CA12CA1CA9TSHR | |
| SCHEMBL11177351 | 0.79 | — | — | |
| SCHEMBL7617429 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TP53CA12CA1CA9 |
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-4038311-A | PRODUCTION OF N-(1-ALKENYL)-CARBAMYL CHLORIDES | BASF AKTIENGESELLSCHAFT (DT) | 1977-07-26 | — | — | US | disclosed |