Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 6/20 | 0.54 |
| ▸ | CA2 | P00918 | 6/20 | 0.54 |
| ▸ | CA9 | Q16790 | 6/20 | 0.54 |
| ▸ | CA12 | O43570 | 4/20 | 0.54 |
| ▸ | NT5E | P21589 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 2/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 2/20 | 0.52 |
| ▸ | EGFR | P00533 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | BCL2 | P10415 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL14136266 | 0.92 | CA12 (0.58) | KIF11CA1CA2CA9CA12 | |
| SCHEMBL14133342 | 0.90 | ALDH1A1 (0.57) | KIF11CA1CA2CA9CA12 | |
| SCHEMBL14136237 | 0.88 | NT5E (0.66) | KIF11CA1CA2CA9CA12 | |
| SCHEMBL14133484 | 0.88 | KIF11 (0.74) | KIF11CA1CA2CA9CA12 | |
| SCHEMBL14133909 | 0.87 | CA1 (0.58) | KIF11CA1CA2CA9CA12 | |
| SCHEMBL14133398 | 0.87 | MAOA (0.68) | KIF11CA1CA2CA9CA12 | |
| SCHEMBL14147820 | 0.85 | NPC1 (0.64) | KIF11CA1CA2CA9CA12 | |
| SCHEMBL14132833 | 0.84 | CA2 (0.60) | KIF11CA1CA2CA9CA12 | |
| SCHEMBL14133943 | 0.83 | EGFR (0.65) | KIF11CA1CA2CA9CA12 | |
| SCHEMBL14133994 | 0.83 | ACHE (0.72) | CA1CA2CA9CA12NT5E |
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-2012160447-A1 | 3, 5 -DIPHENYL- SUBSTITUTED PYRAZOLINES FOR THE TREATMENT OF CANCER, PROLIFERATIVE, INFLAMMATORY OR AUTOIMMUNE DISEASES | DYNAMIX PHARMACEUTICALS LTD. (IL) | 2012-11-29 | — | — | WO | disclosed |