Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.49 |
| ▸ | CCR5 | P51681 | 1/20 | 0.49 |
| ▸ | CCR8 | P51685 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | GRM5 | P41594 | 4/20 | 0.43 |
| ▸ | QDPR | P09417 | 1/20 | 0.41 |
| ▸ | WNT3A | P56704 | 2/20 | 0.40 |
| ▸ | ABL1 | P00519 | 3/20 | 0.40 |
| ▸ | BCR | P11274 | 3/20 | 0.40 |
| ▸ | GRM1 | Q13255 | 3/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL3326632 | 0.83 | TRPV1 (0.43) | ALDH1A1SMN1; SMN2ABL1BCR | |
| SCHEMBL15024195 | 0.82 | GRM1 (0.60) | GRM5WNT3AGRM1NAMPT | |
| SCHEMBL30097493 | 0.81 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2GRM5GRM1NAMPT | |
| SCHEMBL12100560 | 0.81 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2GRM5GRM1NAMPT | |
| SCHEMBL28691435 | 0.78 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2GRM5GRM1NAMPT | |
| SCHEMBL18865732 | 0.77 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2GRM5QDPRGRM1 | |
| SCHEMBL28661925 | 0.76 | NAMPT (0.40) | ALDH1A1SMN1; SMN2GRM5QDPRGRM1 | |
| SCHEMBL20140095 | 0.76 | HTR1A (0.54) | CCR1CCR8ALDH1A1SMN1; SMN2GRM5 | |
| SCHEMBL22324995 | 0.76 | QDPR (0.50) | ALDH1A1SMN1; SMN2QDPRMEN1KMT2A | |
| SCHEMBL16113804 | 0.75 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2QDPRNAMPTMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |