Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.50 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.50 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | TOP2A | P11388 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.45 |
| ▸ | CTSG | P08311 | 1/20 | 0.45 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.45 |
| ▸ | CMA1 | P23946 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13468193 | 0.87 | CHRM1 (0.55) | HCRTR1TSHRHTTALDH1A1SMN1; SMN2 | |
| SCHEMBL15528646 | 0.83 | HCRTR1 (0.76) | HCRTR1HDAC3HDAC1TSHRALDH1A1 | |
| SCHEMBL7325137 | 0.83 | CRBN (0.51) | HCRTR1TSHRHTTTOP2AALDH1A1 | |
| SCHEMBL15614413 | 0.83 | HCRTR1 (0.51) | HCRTR1TSHRHTTTOP2AALDH1A1 | |
| SCHEMBL27375291 | 0.82 | CHRNB2 (0.54) | HCRTR1HDAC3HDAC1HTTNPSR1 | |
| SCHEMBL3209406 | 0.81 | NPSR1 (0.58) | HCRTR1HDAC3HDAC1TSHRHTT | |
| SCHEMBL27439930 | 0.80 | PRSS1 (0.71) | TOP2AALDH1A1PRSS1CTSGCTRB1 | |
| SCHEMBL13962647 | 0.78 | CYP4F2 (0.55) | CYP4F2CYP4A11TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL13162369 | 0.78 | HPGD (0.59) | HCRTR1HDAC3TSHRHTTALDH1A1 | |
| SCHEMBL22515531 | 0.78 | HTT (0.56) | HCRTR1HDAC3HDAC1TSHRHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012139891-A1 | SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS | BAYER CROPSCIENCE AG (DE) | 2012-10-18 | — | — | WO | disclosed |