Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | QPCT | Q16769 | 12/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL17036636 | 0.77 | ADRA2A (0.54) | EPHX1ADRA2AADRA2CADRA1DADRA1A | |
| SCHEMBL18649372 | 0.75 | ADRA2A (0.51) | ADRA2AADRA2CADRA1DADRA1AADRA1B | |
| SCHEMBL3597855 | 0.72 | PRKCI (0.41) | EPHX1QPCTSMN1; SMN2POLBHTT | |
| SCHEMBL11557199 | 0.70 | NAMPT (0.52) | EPHX1ADRA2AADRA2CADRA1DADRA1A | |
| SCHEMBL2545182 | 0.70 | EPHX1 (0.48) | EPHX1ADRA2AADRA2CADRA1DADRA1A | |
| SCHEMBL2544250 | 0.70 | QPCT (0.67) | ADRA2AADRA2CADRA1DADRA1AADRA1B | |
| SCHEMBL5063947 | 0.69 | ADRA2A (0.58) | EPHX1ADRA2AADRA2CADRA1DADRA1A | |
| Hydrochloric Acid SCHEMBL7093142 | 0.69 | ROCK1 (0.48) | HTTCDK1TP53 | |
| SCHEMBL29399373 | 0.69 | QDPR (0.47) | EPHX1QPCTNPC1MAPT | |
| SCHEMBL1080493 | 0.69 | NPC1 (0.41) | EPHX1QPCTSMN1; SMN2POLBHTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-103992310-B | One group replaces benzo heterocyclic amine derivant and preparation method thereof and the related application as IMPDH inhibitor | 中国医学科学院医药生物技术研究所 | 2016-07-06 | — | — | CN | disclosed |