Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 4/20 | 0.53 |
| ▸ | CA2 | P00918 | 4/20 | 0.53 |
| ▸ | CA9 | Q16790 | 4/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | CA4 | P22748 | 2/20 | 0.53 |
| ▸ | NT5E | P21589 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL14133644 | 0.89 | CA1 (0.64) | PKMACHECA1CA2CA9 | |
| SCHEMBL14136237 | 0.88 | NT5E (0.66) | NPC1RAB9APKMACHECA1 | |
| SCHEMBL14058690 | 0.87 | NPC1 (0.74) | NPC1RAB9APKMCA1CA2 | |
| SCHEMBL14133479 | 0.86 | MAOA (0.64) | NPC1RAB9AACHECA1CA2 | |
| SCHEMBL14133994 | 0.86 | ACHE (0.72) | PKMACHECA1CA2CA9 | |
| SCHEMBL14133476 | 0.85 | ACHE (0.59) | NPC1RAB9AACHECA1CA2 | |
| SCHEMBL14133910 | 0.85 | PTGS2 (0.69) | NPC1RAB9AACHECA1CA2 | |
| SCHEMBL14133489 | 0.83 | KDM4E (0.64) | NPC1RAB9APKMACHECA1 | |
| SCHEMBL14133957 | 0.83 | MAOB (0.75) | NPC1RAB9AACHEPTGS2MAOB | |
| SCHEMBL14136238 | 0.82 | ACHE (0.69) | NPC1RAB9APKMACHECA1 |
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 |