Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.58 |
| ▸ | CLK2 | P49760 | 1/20 | 0.52 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.52 |
| ▸ | ABL1 | P00519 | 1/20 | 0.50 |
| ▸ | BCR | P11274 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CTSC | P53634 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22212784 | 0.84 | CYP2C9 (0.50) | ABL1BCREPHX2KMT2ATRPV1 | |
| SCHEMBL181112 | 0.80 | ABL1 (0.57) | CLK2DYRK1AABL1BCREPHX2 | |
| SCHEMBL14577133 | 0.79 | KIF11 (0.71) | KIF11EPHX2MEN1KMT2ATRPV1 | |
| SCHEMBL23634792 | 0.78 | KIF11 (0.63) | KIF11MEN1KMT2ACTSCKDM4E | |
| SCHEMBL29793056 | 0.78 | KIF11 (0.60) | KIF11KMT2AL3MBTL1CYP17A1KDM4E | |
| SCHEMBL1368828 | 0.78 | KIF11 (0.60) | KIF11KMT2AL3MBTL1CYP17A1KDM4E | |
| SCHEMBL17396429 | 0.77 | ABL1 (0.50) | ABL1BCREPHX2CYP2C9SLC22A6 | |
| SCHEMBL181010 | 0.76 | ABL1 (0.46) | ABL1BCREPHX2TRPV1CYP2C9 | |
| SCHEMBL28020002 | 0.75 | SYK (0.56) | — | |
| SCHEMBL12158225 | 0.75 | MEN1 (0.70) | MEN1KMT2ANPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3137459-B1 | MORPHOLIN-PYRIDINE DERIVATIVES HAVING AFFINITY TO THE TAAR1 RECEPTOR | HOFFMANN LA ROCHE (CH) | 2018-05-23 | — | — | EP | disclosed |