Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.44 |
| ▸ | TUBB | P07437 | 1/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.44 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.44 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.44 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6212216 | 0.81 | SMN1; SMN2 (0.52) | ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E | |
| SCHEMBL191996 | 0.80 | ACHE (0.59) | MAPK1KDM4EHTR2CCYP19A1TUBB4A | |
| SCHEMBL13244256 | 0.79 | POLB (0.50) | POLBMAPK1SMN1; SMN2TUBB4ATUBB | |
| Alcohol SCHEMBL9525249 | 0.79 | PTGS2 (0.54) | MAPK1SMN1; SMN2KDM4EHTR2CCYP19A1 | |
| Trifluoroacetic Acid SCHEMBL7060543 | 0.79 | PKM (0.52) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL4381078 | 0.78 | ACHE (0.56) | KDM4EHTR2CCYP19A1TUBB4ATUBB | |
| Ammonia Solution, Strong SCHEMBL4946565 | 0.78 | ACHE (0.56) | MAPK1KDM4EHTR2CCYP19A1TUBB4A | |
| SCHEMBL31095392 | 0.76 | ALDH1A1 (0.61) | ALDH1A1POLBMEN1KMT2AKDM4E | |
| SCHEMBL3361544 | 0.76 | ALDH1A1 (0.61) | ALDH1A1POLBMEN1KMT2AKDM4E | |
| SCHEMBL26923822 | 0.76 | KDM4E (0.41) | POLBSMN1; SMN2KDM4EHPGDHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004065389-A1 | PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS MODULATORS OF MULTIDRUG RESISTANCE | XENOVA LIMITED (GB) | 2004-08-05 | — | — | WO | disclosed |