Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | LMNA | P02545 | 6/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.61 |
| ▸ | MAPT | P10636 | 4/20 | 0.61 |
| ▸ | HTT | P42858 | 4/20 | 0.61 |
| ▸ | USP2 | O75604 | 3/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | GALK1 | P51570 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CCR5 | P51681 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5857440 | 0.84 | CYP2D6 (0.61) | ALDH1A1LMNANPSR1USP2GAA | |
| SCHEMBL25802934 | 0.79 | PKM (0.64) | ALDH1A1LMNANPSR1SMN1; SMN2MAPT | |
| SCHEMBL27917816 | 0.75 | LMNA (0.72) | ALDH1A1LMNANPSR1SMN1; SMN2MAPT | |
| SCHEMBL5857451 | 0.74 | CYP2D6 (0.52) | ALDH1A1USP2GAACCR5CYP2D6 | |
| SCHEMBL904850 | 0.73 | USP2 (0.60) | ALDH1A1LMNANPSR1SMN1; SMN2MAPT | |
| SCHEMBL2544136 | 0.73 | LMNA (0.56) | ALDH1A1LMNANPSR1SMN1; SMN2MAPT | |
| Hydrochloric Acid SCHEMBL5857416 | 0.72 | LMNA (0.55) | ALDH1A1LMNANPSR1SMN1; SMN2MAPT | |
| SCHEMBL14834301 | 0.69 | PKM (0.66) | ALDH1A1LMNANPSR1SMN1; SMN2MAPT | |
| SCHEMBL13929350 | 0.67 | SIGMAR1 (0.71) | CCR5 | |
| SCHEMBL13929341 | 0.67 | SIGMAR1 (0.74) | HTTPOLBCCR5OPRM1OPRD1 |
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-6989393-B2 | Ccr5 modulators benzimidazoles or benzotriazoles | ASTRAZENECA AB (SE) | 2006-01-24 | — | — | US | disclosed |
| US-20030119869-A1 | Ccr5 modulators benzimidazoles or benzotriazoles | ASTRAZENECA AB (SE) | 2003-06-26 | — | — | US | disclosed |
| EP-1265870-A1 | NEW CCR5 MODULATORS: BENZIMIDAZOLES OR BENZOTRIAZOLES | AstraZeneca AB (SE) | 2002-12-18 | — | — | EP | disclosed |
| WO-2001066525-A1 | NEW CCR5 MODULATORS: BENZIMIDAZOLES OR BENZOTRIAZOLES | ASTRAZENECA AB (SE) | 2001-09-13 | — | — | 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-20030119869-A1 | Ccr5 modulators benzimidazoles or benzotriazoles | CCR5, CCR2, CXCR4 | ALDH1A1 1599/4885LMNA 4192/4885NPSR1 181/4885 |
“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.