Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | VCP | P55072 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL8851103 | 0.91 | ALDH1A1 (0.39) | ALDH1A1HPGDPKMS1PR4S1PR1 | |
| SCHEMBL8851413 | 0.88 | LMNA (0.41) | VCP | |
| SCHEMBL8851143 | 0.84 | ALDH1A1 (0.36) | ALDH1A1HPGDPKMCA12CA9 | |
| SCHEMBL8851100 | 0.82 | GNAI3 (0.47) | ALDH1A1HPGDVCPSIGMAR1 | |
| SCHEMBL8851151 | 0.81 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL8851281 | 0.79 | LMNA (0.47) | HPGDVCPS1PR4S1PR1S1PR3 | |
| SCHEMBL9148593 | 0.76 | KDM1A (0.32) | — | |
| SCHEMBL8851113 | 0.75 | ALDH1A1 (0.36) | ALDH1A1HPGDSIGMAR1 | |
| SCHEMBL9145354 | 0.75 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL8851033 | 0.75 | SMYD3 (0.41) | ALDH1A1 |
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 |