Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | NT5E | P21589 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1892147 | 0.85 | TSHR (0.55) | TSHRSMN1; SMN2ALDH1A1LMNAKMT2A | |
| SCHEMBL28702136 | 0.83 | TSHR (0.53) | TSHRSMN1; SMN2ALDH1A1LMNAKMT2A | |
| SCHEMBL27633311 | 0.83 | TSHR (0.53) | TSHRSMN1; SMN2ALDH1A1LMNAKMT2A | |
| Hydrochloric Acid SCHEMBL28105947 | 0.83 | TSHR (0.53) | TSHRSMN1; SMN2ALDH1A1LMNAKMT2A | |
| Benzenethiol SCHEMBL28102850 | 0.81 | TSHR (0.76) | TSHRSMN1; SMN2ALDH1A1LMNAPOLB | |
| Benzenethiol SCHEMBL28329702 | 0.80 | SMN1; SMN2 (0.56) | TSHRSMN1; SMN2ALDH1A1LMNAPOLB | |
| SCHEMBL2944199 | 0.80 | TSHR (0.50) | TSHRSMN1; SMN2ALDH1A1LMNAKMT2A | |
| Benzenethiol SCHEMBL27899498 | 0.78 | TSHR (0.58) | TSHRSMN1; SMN2ALDH1A1LMNAPOLB | |
| Methylphenylsulfide SCHEMBL29261145 | 0.77 | SMN1; SMN2 (0.41) | SMN1; SMN2ALDH1A1LMNAPOLBKMT2A | |
| Methylsulfanylmethane SCHEMBL29041129 | 0.75 | TSHR (0.80) | TSHRSMN1; SMN2ALDH1A1LMNAPOLB |
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-5932731-A | HYDROLYZING A HETEROAROMATIC HALOGENATED METHYL SULFIDE IN PRESENCE OF AN ACID | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 1999-08-03 | — | — | US | disclosed |