Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13315991 | 0.92 | TSHR (0.48) | TSHRCYP3A4HTTMAPTMEN1 | |
| SCHEMBL29030314 | 0.92 | TSHR (0.48) | TSHRCYP3A4HTTMAPTMEN1 | |
| SCHEMBL58852 | 0.92 | — | — | |
| SCHEMBL95514 | 0.87 | USP2 (0.52) | TSHRHTTMAPTMEN1THRB | |
| SCHEMBL8859528 | 0.85 | HTT (0.52) | TSHRHTTMAPTMEN1THRB | |
| SCHEMBL27892615 | 0.85 | HTT (0.52) | TSHRHTTMAPTMEN1THRB | |
| SCHEMBL724323 | 0.85 | TSHR (0.41) | TSHRCYP3A4HTTMAPTMEN1 | |
| Di(Hydroxyethyl)Ether SCHEMBL27892639 | 0.84 | TSHR (0.71) | TSHRCYP3A4HTTMAPTMEN1 | |
| Butoxyethanol SCHEMBL20917676 | 0.84 | TSHR (0.71) | TSHRCYP3A4HTTMAPTMEN1 | |
| SCHEMBL96285 | 0.84 | USP2 (0.54) | HTTMAPTMEN1THRBKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1806149-A1 | SOLID MEDICINAL PREPARATION IMPROVED IN SOLUBILITY AND STABILITY AND PROCESS FOR PRODUCING THE SAME | Japan Tobacco, Inc. (JP) | 2007-07-11 | — | — | EP | disclosed |
| US-5399589-A | Oxalyl hydrazide-hydroxamic acid derivatives, their preparation and their use as fungicides | BASF AKTIENGESELLSCHAFT (DE) | 1995-03-21 | — | — | US | disclosed |