Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 11/20 | 0.72 |
| ▸ | ERBB3 | P21860 | 3/20 | 0.72 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.55 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.53 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | FBP1 | P09467 | 2/20 | 0.52 |
| ▸ | GMNN | O75496 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | ABL1 | P00519 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | RAF1 | P04049 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8798959 | 0.85 | EGFR (0.58) | EGFRERBB3TNNI3KMEN1KMT2A | |
| SCHEMBL374148 | 0.80 | EGFR (0.71) | EGFRERBB3TNNI3KPDGFRBPDGFRA | |
| SCHEMBL3952295 | 0.80 | EGFR (0.66) | EGFRERBB3TNNI3KMEN1KMT2A | |
| SCHEMBL27423215 | 0.79 | MEN1 (0.49) | EGFRERBB3MEN1KMT2ANPC1 | |
| SCHEMBL3953114 | 0.79 | MAPT (0.59) | EGFRERBB3PDGFRBPDGFRAMEN1 | |
| SCHEMBL2329038 | 0.79 | EGFR (0.70) | EGFRERBB3TNNI3KPDGFRBPDGFRA | |
| SCHEMBL374472 | 0.78 | EGFR (0.64) | EGFRERBB3TNNI3KMAPTABL1 | |
| Hydrochloric Acid SCHEMBL2173883 | 0.78 | EGFR (0.64) | EGFRERBB3TNNI3KMEN1KMT2A | |
| SCHEMBL12482486 | 0.77 | EGFR (0.70) | EGFRERBB3TNNI3KPDGFRBPDGFRA | |
| SCHEMBL2175165 | 0.77 | EGFR (1.00) | EGFRERBB3TNNI3KMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009029617-A1 | DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |
| WO-2009029617-A1 | DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |