Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 2/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4300603 | 0.84 | ALDH1A1 (0.46) | ALDH1A1LMNAHSD17B10PKMKDM4E | |
| SCHEMBL10705459 | 0.78 | PIN1 (0.43) | ALDH1A1LMNAHSD17B10PKMKDM4E | |
| SCHEMBL6067685 | 0.78 | ALDH1A1 (0.44) | ALDH1A1LMNAHSD17B10PKMKDM4E | |
| SCHEMBL14305396 | 0.78 | ALDH1A1 (0.44) | ALDH1A1LMNAHSD17B10PKMKDM4E | |
| SCHEMBL10877197 | 0.77 | ALDH1A1 (0.42) | ALDH1A1LMNAHSD17B10PKMKDM4E | |
| SCHEMBL7667823 | 0.76 | — | — | |
| SCHEMBL7107426 | 0.75 | — | — | |
| SCHEMBL513322 | 0.75 | — | — | |
| SCHEMBL12574804 | 0.73 | STING1 (0.40) | ALDH1A1LMNAHSD17B10PKMKDM4E | |
| SCHEMBL9218465 | 0.73 | CYP4F2 (0.38) | ALDH1A1LMNAHSD17B10PKMKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5021587-A | Synthesis of N,3,4-trisubstituted-3-azoline-2-ones | PETROLITE CORPORATION (US) | 1991-06-04 | — | — | US | claimed |
| US-5023382-A | Synthesis of 2,3-disubstituted-2-cyclopentenones via lithiomethylmercapto compounds | PETROLITE CORPORATION (US) | 1991-06-11 | — | — | US | disclosed |
| US-5021587-A | Synthesis of N,3,4-trisubstituted-3-azoline-2-ones | PETROLITE CORPORATION (US) | 1991-06-04 | — | — | US | disclosed |
| US-5021587-A | Synthesis of N,3,4-trisubstituted-3-azoline-2-ones | PETROLITE CORPORATION (US) | 1991-06-04 | — | — | US | disclosed |