Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.45 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20652972 | 0.81 | TP53 (0.50) | ALDH1A1TSHRKDM4ESMN1; SMN2HTT | |
| SCHEMBL20652781 | 0.79 | ALDH1A1 (0.54) | ALDH1A1TSHRKDM4ESMN1; SMN2HTT | |
| SCHEMBL22105552 | 0.74 | TPH1 (0.54) | ALDH1A1TSHRKDM4ESMN1; SMN2HTT | |
| SCHEMBL20656000 | 0.69 | ALDH1A1 (0.56) | ALDH1A1TSHRMAPK1KDM4ESMN1; SMN2 | |
| SCHEMBL22105568 | 0.67 | TPH1 (0.53) | ALDH1A1TSHRKDM4ESMN1; SMN2HTT | |
| SCHEMBL17522955 | 0.66 | TSHR (0.67) | ALDH1A1TSHRMAPK1KDM4ESMN1; SMN2 | |
| SCHEMBL27411452 | 0.66 | ALDH1A1 (0.67) | ALDH1A1TSHRMAPK1KDM4ESMN1; SMN2 | |
| SCHEMBL22105376 | 0.66 | TP53 (0.49) | ALDH1A1TSHRMAPK1KDM4ESMN1; SMN2 | |
| SCHEMBL19090443 | 0.65 | MEN1 (0.58) | ALDH1A1TSHRMAPK1KDM4ESMN1; SMN2 | |
| SCHEMBL22105371 | 0.65 | TPH1 (0.50) | ALDH1A1TSHRKDM4ESMN1; SMN2HTT |
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-2019011802-A1 | NOVEL SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-01-17 | — | — | WO | disclosed |