Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8851184 | 0.87 | LMNA (0.35) | ALDH1A1METAP1CA12CA2CA9 | |
| SCHEMBL8850964 | 0.84 | ALDH1A1 (0.41) | ALDH1A1HPGDPKMCA12CA2 | |
| SCHEMBL8851103 | 0.82 | ALDH1A1 (0.39) | ALDH1A1HPGDMETAP1PKMSIGMAR1 | |
| SCHEMBL8851155 | 0.81 | EPHX1 (0.43) | ALDH1A1HPGDMETAP1PKMCA12 | |
| SCHEMBL8851741 | 0.80 | METAP1 (0.33) | METAP1POLBKDM4E | |
| SCHEMBL8851899 | 0.76 | ALDH1A1 (0.33) | ALDH1A1HPGDPKM | |
| SCHEMBL9146801 | 0.74 | METAP1 (0.37) | ALDH1A1METAP1POLBTDP1KDM4E | |
| SCHEMBL8851320 | 0.73 | GAA (0.42) | ALDH1A1HPGDMETAP1POLBTDP1 | |
| SCHEMBL9141301 | 0.73 | METAP1 (0.35) | METAP1KDM4E | |
| SCHEMBL8851113 | 0.72 | ALDH1A1 (0.36) | ALDH1A1HPGDSIGMAR1 |
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 |