Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.35 |
| ▸ | TUBB | P07437 | 1/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.35 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.35 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.35 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.35 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.35 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.35 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.35 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21313258 | 0.87 | ADORA1 (0.57) | ADORA2AADORA1RETLTA4H | |
| SCHEMBL21313200 | 0.87 | DHFR (0.44) | ADORA2AKDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL21313171 | 0.86 | ADORA2A (0.47) | ADORA2AADORA1KDM4EMEN1ALDH1A1 | |
| SCHEMBL21313199 | 0.85 | ADORA1 (0.62) | ADORA2AADORA1MEN1KMT2ARET | |
| SCHEMBL21313259 | 0.84 | ADORA2A (0.45) | ADORA2AADORA1KDM4EMEN1ALDH1A1 | |
| SCHEMBL16223072 | 0.81 | ADORA2A (0.42) | ADORA2AADORA1HRH3NQO2DHFR | |
| SCHEMBL21313208 | 0.81 | ADORA1 (0.54) | ADORA2AADORA1RETLTA4H | |
| SCHEMBL21313175 | 0.81 | ADORA2A (0.53) | ADORA2AADORA1KDM4EMEN1ALDH1A1 | |
| SCHEMBL21313252 | 0.81 | ADORA2A (0.53) | ADORA2AADORA1KDM4EMEN1ALDH1A1 | |
| SCHEMBL21313254 | 0.79 | ADORA1 (0.52) | ADORA2AADORA1LTA4H |
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 |
|---|---|---|---|---|---|---|---|
| EP-3195867-B1 | PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF | USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CR V V I (CZ) | 2019-09-04 | — | — | EP | claimed |