Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 9/20 | 0.56 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 3/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28741945 | 0.85 | NPC1 (0.43) | AURKAAURKBNPC1RAB9AHCAR3 | |
| SCHEMBL29134217 | 0.79 | ALDH1A1 (0.50) | AURKAAURKBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1943629 | 0.78 | ALDH1A1 (0.50) | AURKAAURKBNPC1RAB9AHCAR3 | |
| SCHEMBL5590772 | 0.74 | MAPT (0.35) | AURKANPC1RAB9AGAAATM | |
| SCHEMBL5590774 | 0.74 | MAPT (0.35) | AURKANPC1RAB9AGAAATM | |
| SCHEMBL4878410 | 0.73 | AURKA (0.60) | AURKAAURKBNPC1RAB9AHCAR3 | |
| SCHEMBL251773 | 0.73 | TSHR (0.67) | AURKANPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL10948448 | 0.73 | GOT1 (0.31) | — | |
| SCHEMBL4872174 | 0.71 | HCAR3 (0.63) | AURKAAURKBNPC1RAB9AHCAR3 | |
| SCHEMBL15492009 | 0.71 | AURKA (0.70) | AURKAAURKBNPC1RAB9AKDR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4418015-A | Phthalocyanine reactive dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1983-11-29 | — | — | US | disclosed |
| EP-0053320-A2 | Process for the preparation of phthalocyanin compounds | BAYER AG (DE) | 1982-06-09 | — | — | EP | disclosed |
| EP-0047863-A2 | Reactive phthalocyanine hyes, process for their preparation and their use in dyeing materials containing hydroxyle groups and/or nitrogen | BAYER AG (DE) | 1982-03-24 | — | — | EP | disclosed |