Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 7/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10280428 | 0.86 | IRAK1 (0.45) | TAAR1ALDH1A1TDP1MAPTNPC1 | |
| SCHEMBL10259263 | 0.84 | TAAR1 (0.49) | TAAR1ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL358097 | 0.83 | TAAR1 (0.49) | TAAR1ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL28954877 | 0.71 | TAAR1 (0.58) | TAAR1ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL358680 | 0.69 | ALDH1A1 (0.81) | ALDH1A1TDP1CYP3A4TSHRMAPT | |
| SCHEMBL10254666 | 0.69 | IRAK1 (0.46) | ALDH1A1TDP1MAPT | |
| SCHEMBL358342 | 0.69 | ACACB (0.51) | — | |
| SCHEMBL8303947 | 0.69 | ALDH1A1 (0.71) | ALDH1A1TDP1CYP3A4TSHRMAPT | |
| SCHEMBL16146269 | 0.69 | IRAK1 (0.60) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL3645707 | 0.68 | TAAR1 (1.00) | TAAR1ALDH1A1MAPTSMN1; SMN2MAPK1 |
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-2012007375-A1 | PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |