Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 3/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | ACR | P10323 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6180008 | 0.84 | PPARA (0.39) | HSD17B10NPC1LMNAALOX15TSHR | |
| SCHEMBL2481800 | 0.83 | NPC1 (0.44) | HSD17B10NPC1LMNAALOX15TSHR | |
| SCHEMBL6181833 | 0.78 | MEN1 (0.36) | HSD17B10PPARAMEN1KMT2APPARG | |
| SCHEMBL3597778 | 0.77 | KDM4E (0.59) | ALDH1A1 | |
| SCHEMBL9362384 | 0.76 | CYP2C9 (0.51) | HSD17B10NPC1LMNAALOX15TSHR | |
| SCHEMBL3609469 | 0.76 | EBP (0.54) | MEN1KMT2A | |
| SCHEMBL2480421 | 0.74 | BCHE (0.41) | HSD17B10NPC1LMNAALOX15TSHR | |
| SCHEMBL6192856 | 0.72 | P2RY6 (0.48) | HSD17B10NPC1ALOX15TSHRMAPK1 | |
| SCHEMBL631842 | 0.72 | HRH3 (0.54) | ALDH1A1 | |
| SCHEMBL24184660 | 0.71 | CYP1A2 (0.46) | LMNATSHRALDH1A1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1507530-B1 | DIAMINOTHIAZOLES AND USE THEREOF AS CDK4 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2005-11-02 | — | — | EP | disclosed |