Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | QPCT | Q16769 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4736058 | 0.83 | KDM4E (0.43) | KMT2APOLBALDH1A1HPGDMAPT | |
| SCHEMBL4740303 | 0.79 | ALDH1A1 (0.35) | KMT2APOLBALDH1A1MAPTGAA | |
| SCHEMBL9247348 | 0.70 | — | — | |
| SCHEMBL16014041 | 0.66 | CRHBP (0.41) | KMT2APOLBMAPTGAAKDM4E | |
| SCHEMBL1886219 | 0.66 | KMT2A (0.52) | KMT2APOLBALDH1A1HPGDMAPT | |
| SCHEMBL1918939 | 0.65 | NPC1 (0.57) | KMT2AALDH1A1HPGDMAPTGAA | |
| SCHEMBL4739774 | 0.63 | — | — | |
| SCHEMBL3080784 | 0.63 | — | — | |
| SCHEMBL1917598 | 0.63 | RAB9A (0.55) | KMT2AALDH1A1HPGDMAPTGAA | |
| SCHEMBL2106683 | 0.62 | — | — |
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-2008077170-A2 | BENZOTHIOAMIDES, AND USE THEREOF FOR RELAXING SMOOTH MUSCLES | Universität Wien (AT) | 2008-07-03 | — | — | WO | disclosed |