Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MIF | P14174 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | XIAP | P98170 | 1/20 | 0.40 |
| ▸ | PTPRB | P23467 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29956618 | 1.00 | ALDH1A1 (0.48) | ALDH1A1MIFESR1ESR2NOS3 | |
| SCHEMBL12028942 | 1.00 | ALDH1A1 (0.48) | ALDH1A1MIFESR1ESR2NOS3 | |
| SCHEMBL2557114 | 0.97 | ALDH1A1 (0.46) | ALDH1A1MIFESR1ESR2NOS3 | |
| SCHEMBL2554121 | 0.97 | ALDH1A1 (0.46) | ALDH1A1MIFESR1ESR2NOS3 | |
| SCHEMBL20024993 | 0.86 | ALDH1A1 (0.47) | ALDH1A1MIFESR1ESR2NOS3 | |
| SCHEMBL28704258 | 0.84 | MIF (0.39) | ALDH1A1MIFESR1ESR2NOS3 | |
| SCHEMBL12313856 | 0.83 | MIF (0.53) | ALDH1A1MIFESR1ESR2NOS3 | |
| SCHEMBL31686091 | 0.83 | NOS2 (0.46) | ALDH1A1MIFESR1ESR2NOS3 | |
| SCHEMBL13632150 | 0.83 | SLC7A5 (0.42) | ALDH1A1MIFSLC7A5LTA4HALPI | |
| SCHEMBL29957769 | 0.83 | SLC7A5 (0.51) | ALDH1A1NOS3NOS1NOS2SLC7A5 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114181150-A | Pyrazole amide derivative, preparation method and application thereof | 沈阳万菱生物技术有限公司 | 2022-03-15 | — | — | CN | claimed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| CN-114181150-A | Pyrazole amide derivative, preparation method and application thereof | 沈阳万菱生物技术有限公司 | 2022-03-15 | — | — | CN | disclosed |
| EP-2049490-A1 | N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS | Astra Zeneca AB (SE) | 2009-04-22 | — | — | EP | disclosed |
| US-20080045521-A1 | PHENYLALANINE DERIVATIVES | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | US | disclosed |
| US-20080045521-A1 | PHENYLALANINE DERIVATIVES | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | US | disclosed |
| US-20080045521-A1 | PHENYLALANINE DERIVATIVES | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | US | disclosed |
| WO-2007141473-A1 | N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS | ASTRAZENECA AB (SE) | 2007-12-13 | — | — | 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-20080045521-A1 | PHENYLALANINE DERIVATIVES | ITGB5, ITGB1, ITGA2B | ALDH1A1 1037/4885MIF 3083/4885ESR1 3251/4885 |
“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.