Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PRNP | P04156 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9234737 | 0.81 | TSHR (0.55) | TSHRMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL8851854 | 0.81 | ALDH1A1 (0.50) | TSHRMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL8851464 | 0.79 | PPID (0.50) | TSHRMEN1KMT2AALDH1A1LMNA | |
| SCHEMBL873430 | 0.77 | TSHR (1.00) | TSHRMAPTALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL5933082 | 0.75 | LMNA (0.45) | TSHRMAPTALDH1A1LMNAAGTR1 | |
| SCHEMBL27883126 | 0.75 | TSHR (0.96) | TSHRMAPTALDH1A1L3MBTL1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL27332250 | 0.75 | TSHR (0.96) | TSHRMAPTALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL2307055 | 0.74 | AKR1B1 (0.50) | MAPTALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL3183513 | 0.74 | TSHR (0.68) | TSHRMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL27484257 | 0.74 | TSHR (0.93) | TSHRMAPTALDH1A1L3MBTL1SMN1; SMN2 |
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 |