Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 2/20 | 0.49 |
| ▸ | DHODH | Q02127 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 4/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 4/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.46 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.46 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | GCGR | P47871 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4708251 | 0.88 | GAA (0.50) | PARP1MEN1GAAKMT2A | |
| SCHEMBL14334593 | 0.80 | CHRNB2 (0.54) | LTA4HCHRNB2CHRNA4PTGS2 | |
| SCHEMBL876068 | 0.79 | DRD2 (0.69) | DRD2DRD1DRD3MEN1GAA | |
| SCHEMBL15477409 | 0.79 | CYP2C19 (0.46) | PARP1DHODH | |
| SCHEMBL14377256 | 0.79 | LTA4H (0.50) | DRD2DRD1DRD3LTA4HCHRNB2 | |
| SCHEMBL6302948 | 0.77 | RAB9A (0.55) | PARP1RAB9A | |
| SCHEMBL3729269 | 0.76 | ALDH1A1 (0.55) | PARP1RAB9AMEN1KMT2A | |
| SCHEMBL6304815 | 0.76 | RAB9A (0.54) | PARP1RAB9AMEN1KMT2A | |
| SCHEMBL29786652 | 0.76 | ALDH1A1 (0.55) | PARP1RAB9AMEN1KMT2A | |
| SCHEMBL17979955 | 0.76 | ALDH1A1 (0.59) | DRD2DRD1DRD3PARP1DHODH |
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-2012176123-A1 | 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | NOVARTIS AG (CH) | 2012-12-27 | — | — | WO | disclosed |