Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | HTR3A | P46098 | 2/20 | 0.43 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.43 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | PPIB | P23284 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL435633 | 0.84 | ALDH1A1 (0.42) | ALDH1A1MAPK1CYP3A4TSHRL3MBTL1 | |
| SCHEMBL3145218 | 0.84 | PPIB (0.46) | ALDH1A1MAPK1CYP3A4TSHRTDP1 | |
| SCHEMBL3159644 | 0.83 | CYP3A4 (0.43) | ALDH1A1MAPK1CYP3A4TSHRTDP1 | |
| SCHEMBL9495188 | 0.83 | TSHR (0.48) | ALDH1A1MAPK1CYP3A4TSHRTDP1 | |
| SCHEMBL737988 | 0.82 | ALDH1A1 (0.47) | ALDH1A1MAPK1CYP3A4TSHRTDP1 | |
| SCHEMBL3141964 | 0.80 | PPIB (0.43) | ALDH1A1MAPK1CYP3A4TSHRTDP1 | |
| SCHEMBL3930452 | 0.79 | PPIB (0.44) | ALDH1A1MAPK1CYP3A4TSHRTDP1 | |
| SCHEMBL4506617 | 0.78 | PPIB (0.47) | ALDH1A1MAPK1CYP3A4TSHRTDP1 | |
| SCHEMBL3153207 | 0.77 | PHLPP2 (0.43) | ALDH1A1MAPK1CYP3A4TSHRTDP1 | |
| SCHEMBL3588249 | 0.77 | PPIB (0.46) | ALDH1A1MAPK1CYP3A4TSHRTDP1 |
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-20050245554-A1 | Substituted pyrimidines | MERCK SHARP & DOHME CORP. | 2005-11-03 | — | — | US | disclosed |
| 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-B1 | NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES | BOEHRINGER INGELHEIM PHARMA (DE) | 2003-06-18 | — | — | EP | 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 (2 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-20050245554-A1 | Substituted pyrimidines | CNR1, CNR2, GPR119 | ALDH1A1 3049/4885MAPK1 1242/4885CYP3A4 1601/4885 |
| US-20040058978-A1 | Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs | CDK1, CDK2, CDK3 | ALDH1A1 1810/4885MAPK1 101/4885CYP3A4 1136/4885 |
“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.