Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8851289 | 0.90 | ALDH1A1 (0.40) | ALDH1A1CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL8851395 | 0.89 | ALDH1A1 (0.39) | ALDH1A1CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL16741511 | 0.87 | ALDH1A1 (0.40) | ALDH1A1TAAR1CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL8851413 | 0.83 | LMNA (0.41) | — | |
| SCHEMBL8851741 | 0.82 | METAP1 (0.33) | — | |
| SCHEMBL8850964 | 0.81 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL9145354 | 0.80 | ALDH1A1 (0.33) | ALDH1A1TAAR1 | |
| SCHEMBL8851163 | 0.79 | GNAI3 (0.45) | ALDH1A1 | |
| SCHEMBL9148593 | 0.77 | KDM1A (0.32) | TAAR1 | |
| SCHEMBL9233824 | 0.77 | EPHX2 (0.45) | — |
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 |