Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 3/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13482321 | 0.86 | MAOB (0.56) | ACACBMAOBKMT2AMAPTHPGD | |
| SCHEMBL10187125 | 0.86 | GLA (0.50) | MAOBKMT2AMAPTKDM4EHPGD | |
| SCHEMBL8251612 | 0.85 | MAOB (0.41) | MAOBMAPTHPGDTSHRALDH1A1 | |
| SCHEMBL18512377 | 0.85 | PTGS1 (0.46) | PTGS1PTGS2ACACBMAOBKMT2A | |
| SCHEMBL10187263 | 0.83 | PTGS1 (0.42) | PTGS1PTGS2ACACBMAOBKMT2A | |
| SCHEMBL10187145 | 0.81 | MAPT (0.48) | ACACBMAOBKMT2AMAPTKDM4E | |
| SCHEMBL1697625 | 0.81 | MAOB (0.45) | ACACBMAOBKMT2AMAPTKDM4E | |
| SCHEMBL14999399 | 0.81 | PLA2G7 (0.53) | ACACB | |
| SCHEMBL175022 | 0.81 | ACACB (0.42) | ACACBMAOBKMT2AMAPTKDM4E | |
| SCHEMBL13822619 | 0.79 | MAOB (0.56) | ACACBMAOBKDM4EHPGDGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012001107-A1 | PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-05 | — | — | WO | disclosed |
| WO-1995035309-A1 | NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE | BASF AKTIENGESELLSCHAFT (DE) | 1995-12-28 | — | — | WO | disclosed |