Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 11/20 | 0.34 |
| ▸ | CA2 | P00918 | 11/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL7206067 | 0.87 | TSHR (0.43) | TSHRALDH1A1CA1CA2HPGD | |
| Hydroxyl Radical SCHEMBL2733157 | 0.74 | — | — | |
| SCHEMBL4264805 | 0.74 | TSHR (0.50) | TSHRALDH1A1LMNASMN1; SMN2HSD17B10 | |
| SCHEMBL132 | 0.74 | — | — | |
| SCHEMBL23451643 | 0.71 | — | — | |
| SCHEMBL11025508 | 0.71 | — | — | |
| SCHEMBL17633022 | 0.71 | — | — | |
| SCHEMBL12500497 | 0.71 | — | — | |
| SCHEMBL20636758 | 0.71 | — | — | |
| SCHEMBL2364171 | 0.71 | TSHR (0.46) | TSHRALDH1A1CA1CA2LMNA |
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-6399833-B1 | CRYSTALLIZATION; DISSOLVING IN SOLVENT | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-06-04 | — | — | US | disclosed |