Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ACP1 | P24666 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3598140 | 0.80 | PKM (0.56) | BRAF | |
| SCHEMBL3588436 | 0.74 | PKM (0.59) | BRAF | |
| SCHEMBL14138694 | 0.72 | TDP1 (0.41) | SMN1; SMN2BRAFCYP2C9CYP2C19KDM4E | |
| SCHEMBL6959104 | 0.65 | TRPV1 (0.52) | LMNATRPV1MEN1KMT2ANPSR1 | |
| SCHEMBL3578630 | 0.61 | PKM (0.63) | BRAF | |
| SCHEMBL6960683 | 0.61 | TRPV1 (0.53) | LMNANPC1RAB9ASMN1; SMN2TRPV1 | |
| SCHEMBL10610251 | 0.61 | CYP3A4 (0.53) | LMNAPDE10ANPC1RAB9ACYP3A4 | |
| SCHEMBL12259133 | 0.60 | ALDH1A1 (0.70) | LMNANPC1RAB9ACYP3A4SMN1; SMN2 | |
| SCHEMBL8615355 | 0.60 | PDE10A (0.55) | PDE10ACYP3A4MEN1KMT2ANPSR1 | |
| SCHEMBL3597123 | 0.59 | PKM (0.63) | BRAF |
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-2008079277-A1 | CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-07-03 | — | — | WO | disclosed |