Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.33 |
| ▸ | CA9 | Q16790 | 5/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | ATR | Q13535 | 2/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL795256 | 0.87 | ALOX5AP (0.33) | CA2CA9ATMATRPRKDC | |
| SCHEMBL10287193 | 0.84 | S1PR1 (0.33) | S1PR1BCHEACHEHDAC1HDAC6 | |
| SCHEMBL795739 | 0.84 | S1PR1 (0.44) | ATRS1PR1BCHEACHEKDM4E | |
| SCHEMBL796180 | 0.84 | ALOX5AP (0.34) | S1PR1BCHEACHEHDAC1HDAC6 | |
| SCHEMBL795506 | 0.83 | HDAC6 (0.38) | S1PR1HDAC1HDAC6HDAC5HDAC8 | |
| SCHEMBL795736 | 0.83 | CNR2 (0.35) | S1PR1BCHEACHEHDAC1HDAC6 | |
| SCHEMBL796335 | 0.82 | ATM (0.33) | CA2CA9ATMATRPRKDC | |
| SCHEMBL15477342 | 0.82 | HDAC6 (0.35) | S1PR1HDAC1HDAC6HDAC5HDAC8 | |
| SCHEMBL797145 | 0.81 | TP53 (0.36) | S1PR1BCHEACHEKDM4ENPC1 | |
| SCHEMBL10286922 | 0.80 | S1PR1 (0.33) | S1PR1BCHEACHEHDAC1HDAC6 |
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-2616465-B1 | TRIAZINE-OXADIAZOLES | NOVARTIS AG (CH) | 2015-11-04 | — | — | EP | disclosed |