Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | DRD4 | P21917 | 4/20 | 0.43 |
| ▸ | LSS | P48449 | 1/20 | 0.43 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8039299 | 0.82 | S1PR1 (0.53) | ALDH1A1S1PR5MEN1KMT2ATEAD1 | |
| SCHEMBL13229557 | 0.82 | S1PR5 (0.46) | KDM4ESIGMAR1S1PR5DRD4BCHE | |
| SCHEMBL11337025 | 0.82 | FUCA1 (0.58) | ALDH1A1SIGMAR1S1PR5CYP1A2CYP3A4 | |
| SCHEMBL2114892 | 0.82 | FUCA1 (0.58) | ALDH1A1SIGMAR1S1PR5CYP1A2CYP3A4 | |
| SCHEMBL11337029 | 0.82 | FUCA1 (0.58) | ALDH1A1SIGMAR1S1PR5CYP1A2CYP3A4 | |
| SCHEMBL2432513 | 0.78 | SMN1; SMN2 (0.58) | ALDH1A1KDM4ESIGMAR1DRD4MAPT | |
| SCHEMBL2918814 | 0.78 | ALDH1A1 (0.53) | ALDH1A1KDM4ESIGMAR1S1PR5MEN1 | |
| SCHEMBL22731735 | 0.78 | ALDH1A1 (0.53) | ALDH1A1KDM4ESIGMAR1S1PR5MEN1 | |
| SCHEMBL2915354 | 0.78 | ALDH1A1 (0.53) | ALDH1A1KDM4ESIGMAR1S1PR5MEN1 | |
| SCHEMBL3771769 | 0.74 | ALDH1A1 (0.50) | ALDH1A1KDM4ESIGMAR1S1PR5MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8399455-B2 | Compounds useful as chemokine receptor antagonists | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-03-19 | — | — | US | disclosed |
| US-20100234356-A1 | COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-09-16 | — | — | 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-20100234356-A1 | COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS | ACKR3, CCR5, CXCR2 | ALDH1A1 1889/4885KDM4E 4629/4885SIGMAR1 700/4885 |
“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.