Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.37 |
| ▸ | MTHFD2 | P13995 | 4/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | MTHFD1 | P11586 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10126898 | 0.81 | KDM4E (0.54) | ALDH1A1GAAHPGDMAPK1TSHR | |
| SCHEMBL14355835 | 0.77 | TSHR (0.52) | ALDH1A1GAAMAPK1TSHRMEN1 | |
| SCHEMBL10126902 | 0.76 | WDR5 (0.60) | ALDH1A1GAACYP3A4CYP1A2CYP2C19 | |
| SCHEMBL10157809 | 0.76 | LMNA (0.43) | ALDH1A1GAACYP3A4KDM4EMEN1 | |
| SCHEMBL29037852 | 0.74 | KDM4E (0.50) | ALDH1A1KDM4ECYP1A2CYP2C19LMNA | |
| SCHEMBL10156732 | 0.74 | KDM4E (0.44) | ALDH1A1GAAMAPK1KDM4EMEN1 | |
| SCHEMBL25735583 | 0.70 | ALDH1A1 (0.45) | ALDH1A1HPGDCYP3A4MEN1CYP1A2 | |
| SCHEMBL10157151 | 0.70 | ALDH1A1 (0.45) | ALDH1A1GAACYP3A4KDM4EMEN1 | |
| SCHEMBL10156805 | 0.69 | CSNK1D (0.43) | ALDH1A1MAPK1KDM4ECYP1A2CYP2C19 | |
| SCHEMBL22542115 | 0.69 | HTR6 (0.47) | ALDH1A1GAAHPGDMAPK1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120040968-A1 | DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND | WATERS TECHNOLOGIES CORPORATION (US) | 2012-02-16 | — | — | US | 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-20120040968-A1 | DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND | EML4, ALK, ERBB4 | ALDH1A1 1554/4885GAA 3821/4885HPGD 4520/4885 |
“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.