Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8852070 | 0.85 | CYP1A2 (0.57) | CYP1A2CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL6367430 | 0.82 | CYP1A2 (0.57) | CYP1A2CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL25877344 | 0.81 | CYP1A2 (0.52) | CYP1A2CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL5898006 | 0.80 | CYP1A2 (0.55) | CYP1A2CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL6739153 | 0.80 | CYP1A2 (0.55) | CYP1A2CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL23465385 | 0.80 | CYP1A2 (0.55) | CYP1A2CYP2A6ALDH1A1HSD17B10HPGD | |
| SCHEMBL5898012 | 0.80 | CYP1A2 (0.55) | CYP1A2CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL15345412 | 0.80 | CYP1A2 (0.55) | CYP1A2CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL7653944 | 0.78 | CYP1A2 (0.59) | CYP1A2CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL8851824 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP2A6ALDH1A1TSHRHSD17B10 |
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 |