Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | AKT2 | P31751 | 3/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 6/20 | 0.34 |
| ▸ | MEN1 | O00255 | 5/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8009531 | 1.00 | NQO2 (0.38) | NQO2KMT2ARAB9ANPC1AKT2 | |
| SCHEMBL8017065 | 0.96 | AKT2 (0.36) | NQO2KMT2ARAB9ANPC1AKT2 | |
| SCHEMBL8017063 | 0.96 | AKT2 (0.36) | NQO2KMT2ARAB9ANPC1AKT2 | |
| SCHEMBL8013333 | 0.93 | AKT2 (0.42) | AKT2EGFRPDPK1CA12CA1 | |
| SCHEMBL8013337 | 0.93 | AKT2 (0.42) | AKT2EGFRPDPK1CA12CA1 | |
| SCHEMBL8009597 | 0.92 | NQO2 (0.36) | NQO2KMT2ARAB9ANPC1AKT2 | |
| SCHEMBL8009592 | 0.92 | NQO2 (0.36) | NQO2KMT2ARAB9ANPC1AKT2 | |
| SCHEMBL8000521 | 0.90 | KMT2A (0.35) | NQO2KMT2ARAB9ANPC1AKT2 | |
| SCHEMBL8000516 | 0.90 | KMT2A (0.35) | NQO2KMT2ARAB9ANPC1AKT2 | |
| SCHEMBL8010461 | 0.90 | KMT2A (0.37) | NQO2KMT2ARAB9ANPC1AKT2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6043254-A | ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-03-28 | — | — | US | disclosed |
| WO-1999051590-A1 | SUBSTITUTED INDOLINONES AS KINASE INHIBITORS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-10-14 | — | — | WO | disclosed |