Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | MAT2A | P31153 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CASP1 | P29466 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CASP7 | P55210 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11059411 | 0.94 | KMT2A (0.36) | HCAR2MAOAMAOBKMT2AGSK3B | |
| SCHEMBL11056353 | 0.89 | HCAR2 (0.34) | HCAR2MAOAMAOBKMT2AGSK3B | |
| SCHEMBL11055462 | 0.89 | HCAR2 (0.35) | HCAR2MAOAMAOBMAT2AALDH1A1 | |
| SCHEMBL11055027 | 0.86 | CHRNA7 (0.44) | ALDH1A1P2RX7HPGD | |
| SCHEMBL11052478 | 0.86 | TDP2 (0.33) | HCAR2MAOAMAOBKMT2AGSK3B | |
| SCHEMBL11059465 | 0.83 | KMT2A (0.37) | HCAR2MAOAMAOBKMT2ACRHR1 | |
| SCHEMBL11056305 | 0.83 | MEN1 (0.38) | HCAR2MAOAMAOBKMT2AMAT2A | |
| SCHEMBL11347921 | 0.82 | CRHR1 (0.38) | MAOBKMT2AMAT2AALDH1A1LMNA | |
| SCHEMBL11053513 | 0.82 | MAPK14 (0.39) | HCAR2KMT2AALDH1A1P2RX7HPGD | |
| SCHEMBL11354038 | 0.79 | CRHR1 (0.46) | MAOBKMT2AMAT2AALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |