Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | CASP7 | P55210 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22396479 | 0.88 | ACHE (0.35) | MAPK1POLBTSHRRAD52ALDH1A1 | |
| SCHEMBL6323135 | 0.88 | AXL (0.38) | MAPK1POLBTSHRALDH1A1CYP3A4 | |
| SCHEMBL16431790 | 0.88 | AXL (0.38) | MAPK1POLBTSHRALDH1A1CYP3A4 | |
| SCHEMBL17137462 | 0.84 | AR (0.43) | ALDH1A1KDM4EBCHEACHE | |
| SCHEMBL22093950 | 0.82 | CYP2A6 (0.55) | TSHRKDM4EMAPTMEN1KMT2A | |
| SCHEMBL30853167 | 0.82 | CYP2A6 (0.55) | TSHRKDM4EMAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6434858 | 0.81 | CYP2A6 (0.53) | TSHRKDM4EMAPTMEN1KMT2A | |
| SCHEMBL5894609 | 0.80 | CYP1A1 (0.39) | MAPK1TSHRRAD52ALDH1A1CYP3A4 | |
| SCHEMBL1412043 | 0.80 | CYP2A6 (0.52) | TSHRKDM4EMAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL1204605 | 0.78 | CYP2A6 (0.50) | TSHRKDM4EMAPTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021136763-A1 | ISOQUINOLINE DERIVATIVES FOR USE IN TREATING GLUT1 DEFICIENCY SYNDROME | GLIAPHARM SA (CH) | 2021-07-08 | — | — | WO | disclosed |
| US-5116986-A | HETEROAROMATIC AMINE DERIVATIVES | DR. KARL THOMAE GMBH (DE) | 1992-05-26 | — | — | US | disclosed |