Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ESRRB | O95718 | 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 | |
|---|---|---|---|---|
| SCHEMBL8850865 | 0.90 | ALDH1A1 (0.49) | ALDH1A1LMNAKDM4ECA12CA7 | |
| SCHEMBL8852294 | 0.83 | ALOX5 (0.48) | ALDH1A1LTA4HSMN1; SMN2POLBTDP1 | |
| SCHEMBL8851854 | 0.82 | ALDH1A1 (0.50) | ALDH1A1LMNAKDM4ECA12CA7 | |
| SCHEMBL9232120 | 0.81 | TDP1 (0.51) | ALDH1A1LMNALTA4HMAPTKMT2A | |
| SCHEMBL8851294 | 0.80 | KEAP1 (0.54) | ALDH1A1LTA4HMAPTSMN1; SMN2 | |
| Methyl 3-Phenylpropanoate SCHEMBL168711 | 0.76 | TDP1 (0.68) | ALDH1A1LMNAKDM4ECA12CA7 | |
| SCHEMBL8413935 | 0.75 | ALDH1A1 (0.53) | ALDH1A1LMNAKDM4ECA12CA7 | |
| SCHEMBL4967288 | 0.74 | TSHR (0.63) | ALDH1A1LMNAKDM4ECA12CA7 | |
| SCHEMBL8851560 | 0.74 | ALOX5 (0.52) | ALDH1A1LTA4HSMN1; SMN2TDP1 | |
| Methyl 3-Phenylpropanoate SCHEMBL1893702 | 0.74 | TDP1 (0.66) | ALDH1A1LMNAKDM4ECA12CA7 |
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 2 patents. 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 |
| EP-0645390-A1 | Trisubstituted pyrimido 5,4-d pyrimidines for modulating multidrug resistance, drugs containing these compounds and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1995-03-29 | — | — | EP | disclosed |