Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | AGXT | P21549 | 2/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL73472 | 0.82 | IDO1 (0.54) | IDO1ALDH1A1CYP3A4ALOX15TP53 | |
| SCHEMBL16424752 | 0.79 | IDO1 (0.56) | IDO1ALDH1A1CYP3A4ALOX15TP53 | |
| SCHEMBL13996974 | 0.79 | SLC6A4 (0.50) | IDO1ALDH1A1CYP3A4ALOX15TP53 | |
| SCHEMBL3877909 | 0.78 | IDO1 (0.56) | IDO1ALDH1A1CYP3A4ALOX15TP53 | |
| SCHEMBL183751 | 0.78 | SLC6A2 (0.57) | IDO1ALDH1A1CYP3A4ALOX15TP53 | |
| SCHEMBL23893975 | 0.78 | IDO1 (0.56) | IDO1ALDH1A1CYP3A4ALOX15TP53 | |
| SCHEMBL809115 | 0.78 | IDO1 (0.50) | IDO1ALDH1A1CYP3A4ALOX15TP53 | |
| SCHEMBL11132376 | 0.78 | IDO1 (0.50) | IDO1ALDH1A1CYP3A4ALOX15TP53 | |
| SCHEMBL10731809 | 0.78 | IDO1 (0.50) | IDO1ALDH1A1CYP3A4ALOX15TP53 | |
| SCHEMBL19303112 | 0.77 | LTA4H (0.61) | IDO1ALDH1A1CYP3A4ALOX15TP53 |
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-5618814-A | Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds | DR. KARL THOMAE GMBH (DE) | 1997-04-08 | — | — | US | disclosed |