Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | AKT2 | P31751 | 2/20 | 0.37 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | TGM2 | P21980 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6318492 | 1.00 | EGFR (0.41) | EGFRALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL6320201 | 0.92 | ALDH1A1 (0.41) | EGFRALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL6322835 | 0.92 | ALDH1A1 (0.41) | EGFRALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL6320361 | 0.92 | EGFR (0.44) | EGFRALDH1A1HTTMEN1KMT2A | |
| SCHEMBL6320358 | 0.92 | EGFR (0.44) | EGFRALDH1A1HTTMEN1KMT2A | |
| SCHEMBL6328248 | 0.89 | PDPK1 (0.45) | EGFRALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL6328256 | 0.89 | PDPK1 (0.45) | EGFRALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL6404857 | 0.89 | EGFR (0.36) | EGFRALDH1A1SMN1; SMN2LMNAHPGD | |
| Hydrochloric Acid SCHEMBL6324886 | 0.89 | EGFR (0.41) | EGFRALDH1A1SMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6326914 | 0.88 | AKT2 (0.45) | EGFRALDH1A1SMN1; SMN2LMNAMEN1 |
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-6855710-B2 | Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2005-02-15 | — | — | US | disclosed |
| EP-1115704-B1 | NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES | BOEHRINGER INGELHEIM PHARMA (DE) | 2003-06-18 | — | — | EP | disclosed |