Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | ADH1A | P07327 | 2/20 | 0.31 |
| ▸ | ADH1C | P00326 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | APEX1 | P27695 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL9229788 | 0.91 | ALDH1A1 (0.40) | ALDH1A1HPGDLMNACA12CA2 | |
| SCHEMBL8851326 | 0.89 | LMNA (0.46) | LMNA | |
| SCHEMBL8850969 | 0.86 | ALDH1A1 (0.36) | ALDH1A1HPGDLMNACA12CA2 | |
| SCHEMBL8851228 | 0.84 | ALDH1A1 (0.42) | ALDH1A1HPGDCA12CA2CA9 | |
| SCHEMBL8851299 | 0.83 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL9235544 | 0.83 | ALDH1A1 (0.41) | ALDH1A1HPGDLMNACA12CA2 | |
| SCHEMBL8851562 | 0.81 | SIGMAR1 (0.42) | ALDH1A1HPGDLMNASIGMAR1 | |
| SCHEMBL9282409 | 0.80 | LMNA (0.47) | ALDH1A1HPGDLMNATSHR | |
| SCHEMBL8117729 | 0.79 | DRD2 (0.36) | ADH1AADH1CSIGMAR1 | |
| SCHEMBL8851282 | 0.79 | ALDH1A1 (0.40) | ALDH1A1HPGDLMNASIGMAR1 |
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 |