Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.43 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.42 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | TYMS | P04818 | 1/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30349914 | 0.78 | PARP1 (0.53) | CTDSP1TYMSTDP1PARP1 | |
| SCHEMBL23428953 | 0.78 | CTDSP1 (0.41) | EGFRCTDSP1TYMSALDH1A1CYP3A4 | |
| SCHEMBL3004117 | 0.78 | PARP1 (0.53) | CTDSP1TYMSTDP1PARP1 | |
| SCHEMBL10594346 | 0.74 | TNF (0.43) | TNFRIPK1PIM3ALDH1A1HSD17B10 | |
| SCHEMBL29402125 | 0.74 | CTDSP1 (0.58) | CTDSP1TYMSALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL12774936 | 0.74 | CTDSP1 (0.58) | CTDSP1TYMSALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL29670282 | 0.71 | AHR (0.56) | EGFRALDH1A1CYP3A4HSD17B10AHR | |
| SCHEMBL94619 | 0.71 | AHR (0.56) | EGFRALDH1A1CYP3A4HSD17B10AHR | |
| SCHEMBL305400 | 0.71 | PARP1 (0.56) | TNFRIPK1ALDH1A1HSD17B10AHR | |
| SCHEMBL1374474 | 0.71 | TNF (0.54) | TNFRIPK1PIM3AHRMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4470990-A | 6,7,8,9-Tetrahydronaphtho(1,2-B)furan-8-amine derivatives and their use as dopamine receptor stimulants | AYERST, MCKENNA & HARRISON INC. (CA) | 1984-09-11 | — | — | US | disclosed |