Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.51 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | SLC6A19 | Q695T7 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PLEC | Q15149 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | C1S | P09871 | 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 | |
|---|---|---|---|---|
| SCHEMBL2401094 | 0.84 | ALDH1A1 (0.53) | ALDH1A1PKMHSD17B3PARP1SLC6A19 | |
| SCHEMBL13358888 | 0.83 | ALDH1A1 (0.52) | ALDH1A1PKMHSD17B3PARP1SLC6A19 | |
| SCHEMBL13358897 | 0.81 | PKM (0.50) | ALDH1A1PKMHSD17B3PARP1SLC6A19 | |
| SCHEMBL15157483 | 0.80 | PARP1 (0.50) | ALDH1A1PARP1MAOAMAOB | |
| SCHEMBL4312708 | 0.79 | CYP1A2 (0.47) | ALDH1A1PKMHSD17B3PARP1SLC6A19 | |
| SCHEMBL2675960 | 0.79 | CYP1A2 (0.51) | ALDH1A1PARP1MAOAMAOBCYP1A2 | |
| SCHEMBL2675752 | 0.79 | NFE2L2 (0.48) | PKMPARP1MAOBCYP2D6CYP1A2 | |
| SCHEMBL7380387 | 0.77 | TRIM24 (0.50) | — | |
| SCHEMBL3161596 | 0.77 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL13358871 | 0.77 | HSD17B3 (0.58) | ALDH1A1PKMHSD17B3PARP1SLC6A19 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2346868-B1 | AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2016-01-27 | — | — | EP | disclosed |
| EP-2297112-B1 | PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2013-04-03 | — | — | EP | disclosed |
| US-8338610-B2 | Pyridinyl compounds useful as intermediates | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-12-25 | — | — | US | disclosed |
| US-8293917-B2 | Pyrazole compounds as CCR1 antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-10-23 | — | — | US | disclosed |
| US-20120136158-A1 | Pyridinyl Compounds Useful As Intermediates | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-05-31 | — | — | US | disclosed |
| US-20110230521-A1 | Pyrazole Compounds As CCR1 Antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-22 | — | — | US | disclosed |
| US-20100093724-A1 | Azaindazole Compounds As CCR1 Receptor Antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-15 | — | — | 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 (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-20100093724-A1 | Azaindazole Compounds As CCR1 Receptor Antagonists | CCR1, CCR3, CCR4 | ALDH1A1 523/4885PKM 4864/4885HSD17B3 947/4885 |
| US-20110230521-A1 | Pyrazole Compounds As CCR1 Antagonists | CCR1, CCR3, CCR4 | ALDH1A1 846/4885PKM 3486/4885HSD17B3 1693/4885 |
| US-20120136158-A1 | Pyridinyl Compounds Useful As Intermediates | CCR1, CCRL2, CCR4 | ALDH1A1 268/4885PKM 3136/4885HSD17B3 2443/4885 |
“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.