Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | STAT6 | P42226 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8273216 | 0.82 | DPP4 (0.46) | ALDH1A1HIF1AHPGD | |
| SCHEMBL13955148 | 0.79 | THRB (0.37) | MAPTTP53ALDH1A1HIF1AHPGD | |
| SCHEMBL13955146 | 0.78 | ALDH1A1 (0.40) | MAPTALDH1A1HIF1AHPGDSMN1; SMN2 | |
| SCHEMBL4486312 | 0.77 | DPP4 (0.45) | MAPTALDH1A1HPGDHTTTSHR | |
| SCHEMBL8273218 | 0.77 | DPP4 (0.45) | — | |
| SCHEMBL4486305 | 0.77 | DPP4 (0.45) | MAPTALDH1A1HPGDHTTTSHR | |
| SCHEMBL13955212 | 0.76 | DPP4 (0.40) | MAPTALDH1A1HIF1AMAOBHTT | |
| SCHEMBL9290323 | 0.74 | HSD17B10 (0.43) | MAPTTP53ALDH1A1MAOBHTT | |
| SCHEMBL3975290 | 0.73 | DPP4 (0.50) | MAPTALDH1A1HIF1AHPGDSMN1; SMN2 | |
| SCHEMBL13954985 | 0.73 | ALDH1A1 (0.37) | MAPTTP53ALDH1A1HIF1AHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1797093-B1 | NOVEL 3-METHYL-7-BUTINYL-XANTHINES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM INT (DE) | 2012-05-30 | — | — | EP | disclosed |