Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 5/20 | 0.35 |
| ▸ | CA1 | P00915 | 5/20 | 0.35 |
| ▸ | CA2 | P00918 | 5/20 | 0.35 |
| ▸ | CA7 | P43166 | 5/20 | 0.35 |
| ▸ | CA9 | Q16790 | 5/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL143364 | 0.92 | TSHR (0.50) | TSHRHPGDSMN1; SMN2NPC1CYP1A2 | |
| SCHEMBL11651635 | 0.84 | TSHR (0.43) | TSHRHPGDSMN1; SMN2NPC1CYP1A2 | |
| SCHEMBL19508782 | 0.84 | TSHR (0.43) | TSHRHPGDSMN1; SMN2NPC1CYP1A2 | |
| Water SCHEMBL11650852 | 0.82 | TSHR (0.42) | TSHRHPGDSMN1; SMN2NPC1CYP1A2 | |
| SCHEMBL1142641 | 0.82 | TSHR (0.42) | TSHRHPGDSMN1; SMN2NPC1CYP1A2 | |
| SCHEMBL24635151 | 0.82 | TSHR (0.48) | TSHRHPGDSMN1; SMN2NPC1CYP1A2 | |
| SCHEMBL19509181 | 0.82 | TSHR (0.42) | TSHRHPGDSMN1; SMN2NPC1CYP1A2 | |
| SCHEMBL19106902 | 0.81 | TSHR (0.30) | TSHR | |
| SCHEMBL17280409 | 0.80 | TSHR (0.40) | TSHRHPGDSMN1; SMN2NPC1CYP1A2 | |
| SCHEMBL821023 | 0.80 | CHRNB2 (0.32) | TSHR |
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-20170198085-A1 | POLYURETHANE-MODIFIED EPOXY RESIN, METHOD FOR PRODUCING SAME, EPOXY RESIN COMPOSITION AND CURED PRODUCT | NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) | 2017-07-13 | — | — | US | disclosed |