Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6678513 | 0.82 | TSHR (0.44) | ALDH1A1TP53TSHRMEN1CYP1A2 | |
| SCHEMBL289488 | 0.80 | ALDH1A1 (0.38) | ALDH1A1TP53TSHRMEN1CYP1A2 | |
| SCHEMBL9370436 | 0.71 | ALDH1A1 (0.35) | ALDH1A1TP53TSHRMEN1CYP1A2 | |
| SCHEMBL17224645 | 0.71 | ALDH1A1 (0.35) | ALDH1A1TP53TSHRMEN1CYP1A2 | |
| Methacrylic Acid SCHEMBL28927409 | 0.70 | TDP1 (0.35) | ALDH1A1TP53TSHRTET2THRB | |
| SCHEMBL3711104 | 0.70 | CES2 (0.36) | ALDH1A1TP53TSHRMEN1CYP1A2 | |
| Hydrochloric Acid SCHEMBL29042118 | 0.69 | — | — | |
| SCHEMBL4845519 | 0.68 | TET2 (0.37) | ALDH1A1TSHRTET2MEN1CYP1A2 | |
| SCHEMBL4845531 | 0.68 | TET2 (0.37) | ALDH1A1TSHRTET2MEN1CYP1A2 | |
| Methacrylic Acid SCHEMBL27534284 | 0.68 | TET2 (0.37) | ALDH1A1TP53TSHRTET2THRB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |