Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.51 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.51 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL29381145 | 0.85 | TDP1 (0.57) | TDP1LMNATP53CASP3ALDH1A1 | |
| SCHEMBL166122 | 0.85 | TDP1 (0.57) | TDP1LMNATP53CASP3ALDH1A1 | |
| SCHEMBL20483091 | 0.80 | DPP4 (0.44) | DPP4NR1H2NR1H3TDP1LMNA | |
| SCHEMBL11604335 | 0.79 | DPP4 (0.44) | DPP4NR1H2NR1H3TDP1LMNA | |
| SCHEMBL10582800 | 0.77 | DPP4 (0.41) | DPP4NR1H2NR1H3TDP1LMNA | |
| SCHEMBL6656473 | 0.76 | TDP1 (0.57) | TDP1LMNATP53CASP3ALDH1A1 | |
| Sulfuric Acid SCHEMBL29217860 | 0.76 | LMNA (0.51) | TDP1LMNATP53CASP3ALDH1A1 | |
| SCHEMBL12260197 | 0.76 | TDP1 (0.49) | TDP1LMNATP53CASP3ALDH1A1 | |
| SCHEMBL11607771 | 0.76 | TDP1 (0.41) | DPP4NR1H2NR1H3TDP1LMNA | |
| SCHEMBL11605959 | 0.76 | TDP1 (0.42) | DPP4NR1H2NR1H3TDP1LMNA |
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-4237290-A | ODORANTS, FLAVORINGS; REACTION OF A SULFONIUM SALT AND A MERCAPTAN | GIVAUDAN CORPORATION (US) | 1980-12-02 | — | — | US | disclosed |
| US-4188488-A | ALKYLIMIDAZOLYL SUBSTITUENTS | GIVAUDAN CORPORATION (US) | 1980-02-12 | — | — | US | disclosed |
| US-4170594-A | Oxazolyl-alkyl-disulphides as flavorants | GIVAUDAN CORPORATION (US) | 1979-10-09 | — | — | US | disclosed |
| US-4130562-A | Odorant or flavoring thiazolyl disulphides | GIVAUDAN CORPORATION (US) | 1978-12-19 | — | — | US | disclosed |