Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | BCR | P11274 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18409478 | 0.95 | ALDH1A1 (0.53) | ALDH1A1GAACYP2D6MAPK1KDM4E | |
| SCHEMBL18409479 | 0.94 | ALDH1A1 (0.47) | ALDH1A1GAAKDM4ESLC2A1L3MBTL1 | |
| SCHEMBL18409509 | 0.90 | ABL1 (0.46) | ALDH1A1GAACYP2D6MAPK1MEN1 | |
| SCHEMBL18409474 | 0.88 | ALDH1A1 (0.50) | ALDH1A1KDM4ESMN1; SMN2TSHRLMNA | |
| SCHEMBL18409495 | 0.87 | KDM4E (0.52) | ALDH1A1MAPK1KDM4EMEN1KMT2A | |
| SCHEMBL18409506 | 0.86 | CYP3A4 (0.45) | ALDH1A1CYP2D6MAPK1KDM4EMEN1 | |
| SCHEMBL18409662 | 0.84 | DRD2 (0.47) | ALDH1A1GAAKDM4EMEN1KMT2A | |
| SCHEMBL18409305 | 0.82 | DRD4 (0.51) | ALDH1A1SMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL18409622 | 0.81 | DRD2 (0.51) | ALDH1A1GAACYP2D6KDM4EMEN1 | |
| SCHEMBL18409498 | 0.79 | SMO (0.49) | ALDH1A1KDM4EMEN1KMT2A |
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-10844051-B2 | Substituted oxazoles for the treatment of cancer | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY | 2020-11-24 | — | — | US | disclosed |
| US-20200339554-A1 | COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2020-10-29 | — | — | US | disclosed |
| US-20180208586-A1 | COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2018-07-26 | — | — | US | disclosed |
| WO-2017011920-A1 | COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2017-01-26 | — | — | 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 (3 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-20180208586-A1 | COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS | VHL, TP53, CD44 | ALDH1A1 325/4885GAA 208/4885CYP2D6 1544/4885 |
| US-10844051-B2 | Substituted oxazoles for the treatment of cancer | OXA1L, PDCD1, MCL1 | ALDH1A1 292/4885GAA 1574/4885CYP2D6 381/4885 |
| US-20200339554-A1 | COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS | KRAS, NRAS, VHL | ALDH1A1 2287/4885GAA 690/4885CYP2D6 493/4885 |
“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.