Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8577964 | 0.87 | KDM4E (0.43) | MAPTKDM4EMEN1KMT2ADAO | |
| SCHEMBL8575326 | 0.79 | TSHR (0.49) | HTTMAPTKDM4EMEN1KMT2A | |
| SCHEMBL8576994 | 0.78 | MEN1 (0.52) | MAPTKDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL8579589 | 0.76 | KMT2A (0.45) | KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL8581796 | 0.73 | DAO (0.55) | HTTKDM4EMEN1KMT2ADAO | |
| SCHEMBL9402327 | 0.70 | ADORA2A (0.44) | MAPTKDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL7090585 | 0.70 | KDM4E (0.54) | HTTMAPTKDM4EMEN1KMT2A | |
| SCHEMBL8576371 | 0.69 | DAO (0.50) | HTTMAPTKDM4EMEN1KMT2A | |
| SCHEMBL31583207 | 0.66 | KCNH2 (0.56) | HTTMAPTALDH1A1MAPK1TSHR | |
| SCHEMBL8575318 | 0.65 | ADORA1 (0.65) | MEN1KMT2ADAOTSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5719279-A | CHOLINOMIMETICS | BOEHRINGER INGELHEIM KG (DE) | 1998-02-17 | — | — | US | disclosed |
| WO-1994003456-A1 | ASYMMETRICALLY SUBSTITUTED XANTHINE WITH ADENOSINE-ANTAGONISTIC PROPERTIES | BOEHRINGER INGELHEIM KG (DE) | 1994-02-17 | — | — | WO | disclosed |