Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | SAE1 | Q9UBE0 | 2/20 | 0.39 |
| ▸ | UBA2 | Q9UBT2 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 8/20 | 0.38 |
| ▸ | RAB9A | P51151 | 8/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12910980 | 0.96 | TSHR (0.43) | TSHRCYP3A4SAE1UBA2KMT2A | |
| SCHEMBL822533 | 0.96 | TSHR (0.43) | TSHRCYP3A4SAE1UBA2KMT2A | |
| SCHEMBL13133314 | 0.92 | TSHR (0.40) | TSHRCYP3A4SAE1UBA2KMT2A | |
| SCHEMBL7914054 | 0.89 | TSHR (0.57) | TSHRCYP3A4SAE1UBA2KMT2A | |
| SCHEMBL12910967 | 0.89 | MAPT (0.41) | TSHRCYP3A4SAE1UBA2KMT2A | |
| SCHEMBL19214037 | 0.88 | SAE1 (0.51) | TSHRCYP3A4SAE1UBA2KMT2A | |
| SCHEMBL12948610 | 0.84 | CYP3A4 (0.54) | TSHRCYP3A4KMT2AMEN1NPC1 | |
| SCHEMBL13411438 | 0.84 | TSHR (0.54) | TSHRCYP3A4KMT2AMEN1NPC1 | |
| SCHEMBL17547464 | 0.83 | TSHR (0.50) | TSHRCYP3A4SAE1UBA2KMT2A | |
| SCHEMBL12013953 | 0.83 | TSHR (0.53) | TSHRCYP3A4SAE1UBA2KMT2A |
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-20150315329-A1 | METHOD FOR PREPARING NOVEL NATURAL OIL BASED HIGH TEMPERATURE ISOCYANURATE CONTAINING POLYURETHANE THERMOSETTING RESINS | MCPU Polymer Engineering, LLC (US) | 2015-11-05 | — | — | US | disclosed |