Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL5699529 | 1.00 | TSHR (0.35) | TSHRMEN1KMT2ACYP2D6LMNA | |
| SCHEMBL8168317 | 1.00 | TSHR (0.35) | TSHRMEN1KMT2ACYP2D6LMNA | |
| SCHEMBL16492330 | 0.74 | MEN1 (0.35) | TSHRMEN1KMT2ACYP2D6LMNA | |
| SCHEMBL3319727 | 0.74 | CHRM2 (0.36) | TSHRCHRM3 | |
| SCHEMBL16492329 | 0.74 | MEN1 (0.35) | TSHRMEN1KMT2ACYP2D6LMNA | |
| SCHEMBL10808200 | 0.68 | CHRM3 (0.33) | MEN1KMT2ACYP2D6LMNAHRH1 | |
| SCHEMBL5001662 | 0.68 | EPHX1 (0.48) | TSHRCHRM3 | |
| SCHEMBL4992450 | 0.68 | EPHX1 (0.48) | TSHRCHRM3 | |
| SCHEMBL5668164 | 0.68 | EPHX1 (0.48) | TSHRCHRM3 | |
| SCHEMBL4992437 | 0.68 | EPHX1 (0.48) | TSHRCHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001096326-A1 | ALPHA-PHENYLSULPHINYL-ALPHA-HALOGENO-BUTYROLACTONE AND HALOGENO-2-BUTEN-2-OLIDE-4 COMPOUNDS USEFUL FOR PREPARING HALOGENO-2-OXYMETHYL-4-FURANONE(4H) | PPG-SIPSY (SCA) (FR) | 2001-12-20 | — | — | WO | disclosed |