Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | PHGDH | O43175 | 1/20 | 0.43 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.40 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | PNMT | P11086 | 3/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12183955 | 0.85 | DPP7 (0.47) | NOTUMDPP7AADATALDH1A1PNMT | |
| SCHEMBL12968836 | 0.79 | MAOA (0.53) | NOTUMACACBPHGDH | |
| SCHEMBL19698372 | 0.79 | PHGDH (0.45) | NOTUMACACBPHGDHDPP7ALDH1A1 | |
| SCHEMBL13405606 | 0.77 | NOTUM (0.46) | NOTUMACACBPHGDHDPP7ALDH1A1 | |
| SCHEMBL13068164 | 0.77 | KMT2A (0.41) | NOTUMDPP7ALDH1A1 | |
| SCHEMBL17993834 | 0.76 | TMEM97 (0.47) | NOTUMACACBPHGDHDPP7ALDH1A1 | |
| SCHEMBL29964619 | 0.76 | ACACB (0.49) | NOTUMACACBPHGDHDPP7ALDH1A1 | |
| SCHEMBL16624019 | 0.76 | ACACB (0.52) | NOTUMACACBPHGDHDPP7PNMT | |
| SCHEMBL2930510 | 0.74 | ESR2 (0.54) | NOTUMACACBPHGDHDPP7HDAC6 | |
| SCHEMBL10078849 | 0.74 | MAOA (0.50) | NOTUMDPP7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2788333-B1 | 1,2,4-TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA | BOEHRINGER INGELHEIM INT (DE) | 2016-03-23 | — | — | EP | disclosed |
| EP-2569298-B1 | NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM INT (DE) | 2015-11-25 | — | — | EP | disclosed |
| WO-2013083741-A1 | 1,2,4 -TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-13 | — | — | WO | disclosed |