Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | GP6 | Q9HCN6 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | AKT2 | P31751 | 2/20 | 0.31 |
| ▸ | SCN4A | P35499 | 1/20 | 0.31 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL198144 | 0.94 | KCNN4 (0.32) | ALDH1A1KCNN4 | |
| SCHEMBL4633672 | 0.92 | PTPN1 (0.40) | PTPN1GP6KIF11NPC1NOTUM | |
| Phenylboronic Acid SCHEMBL988759 | 0.82 | CA4 (0.44) | — | |
| SCHEMBL30139540 | 0.80 | KIF11 (0.40) | ALDH1A1KIF11NPC1RAB9A | |
| SCHEMBL16975529 | 0.80 | KIF11 (0.37) | ALDH1A1KIF11NPC1RAB9A | |
| SCHEMBL29518677 | 0.78 | — | — | |
| SCHEMBL8987735 | 0.77 | ESR1 (0.41) | ALDH1A1MAPK1KCNN4KMT2A | |
| SCHEMBL5633434 | 0.76 | TAAR1 (0.39) | KIF11AKT2 | |
| Benzene SCHEMBL4593432 | 0.76 | TSHR (0.38) | ALDH1A1 | |
| SCHEMBL2816468 | 0.76 | ALDH1A1 (0.39) | ALDH1A1MAPK1KCNN4KMT2A |
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-1993003033-A1 | CARBONATE-SUBSTITUTED IMIDAZO[4,5-d] PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G. D. SEARLE & CO. (US) | 1993-02-18 | — | — | WO | disclosed |