Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | LSS | P48449 | 2/20 | 0.41 |
| ▸ | BPTF | Q12830 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | TTK | P33981 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6325838 | 0.82 | HRH3 (0.50) | HRH3HDAC6BCHEACHE | |
| SCHEMBL8761098 | 0.79 | GAA (0.44) | HDAC3HDAC6ALDH1A1HDAC4 | |
| SCHEMBL8761084 | 0.76 | EPHX1 (0.31) | — | |
| SCHEMBL8102350 | 0.76 | HRH3 (0.54) | HRH3HDAC3HDAC6ALDH1A1TSHR | |
| SCHEMBL9785851 | 0.75 | CYP2A6 (0.48) | ALDH1A1TSHR | |
| SCHEMBL24677481 | 0.73 | ADH1B (0.55) | HRH3HDAC3HDAC6ALDH1A1TSHR | |
| SCHEMBL659509 | 0.72 | HRH3 (0.82) | HRH3HDAC3HDAC6ALDH1A1TSHR | |
| SCHEMBL8761089 | 0.72 | CA2 (0.43) | ALDH1A1TSHR | |
| SCHEMBL28247922 | 0.71 | LSS (0.46) | HRH3HDAC3HDAC6ALDH1A1TSHR | |
| SCHEMBL9970753 | 0.71 | HRH3 (0.58) | HRH3HDAC3HDAC6ALDH1A1TSHR |
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 4 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 |
| US-20040058978-A1 | Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2004-03-25 | — | — | US | disclosed |
| EP-1115704-A1 | NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES | Boehringer Ingelheim Pharma KG (DE) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000018734-A1 | NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-04-06 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040058978-A1 | Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs | CDK1, CDK2, CDK3 | HRH3 1204/4885HDAC3 552/4885HDAC6 1527/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.