Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.65 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.60 |
| ▸ | WNT3A | P56704 | 3/20 | 0.60 |
| ▸ | CES2 | O00748 | 1/20 | 0.59 |
| ▸ | CES1 | P23141 | 1/20 | 0.59 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.56 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.56 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.56 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8269548 | 0.87 | HSD11B1 (0.64) | PARP1CTNNB1WNT3ACES2CES1 | |
| SCHEMBL30416831 | 0.85 | ALDH1A1 (0.69) | PARP1CTNNB1WNT3ACES2CES1 | |
| SCHEMBL4722288 | 0.85 | ALDH1A1 (0.69) | PARP1CTNNB1WNT3ACES2CES1 | |
| SCHEMBL3846484 | 0.85 | PARP1 (0.67) | PARP1CES2CES1PRSS1PRSS2 | |
| SCHEMBL15988793 | 0.84 | CTNNB1 (0.74) | PARP1CTNNB1WNT3ACES2CES1 | |
| SCHEMBL30416977 | 0.84 | CTNNB1 (0.60) | PARP1CTNNB1WNT3ACES2CES1 | |
| SCHEMBL3588375 | 0.84 | CTNNB1 (0.60) | PARP1CTNNB1WNT3ACES2CES1 | |
| Hydrochloric Acid SCHEMBL3849047 | 0.84 | PARP1 (0.65) | PARP1CTNNB1WNT3ACES2CES1 | |
| SCHEMBL4637827 | 0.83 | CES2 (0.62) | PARP1CTNNB1WNT3ACES2CES1 | |
| SCHEMBL19984838 | 0.83 | CES2 (0.62) | PARP1CTNNB1WNT3ACES2CES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6051577-A | TYROSINE INHIBITORS; BONE DISORDERS | NOVARTIS AG (CH) | 2000-04-18 | — | — | US | disclosed |
| WO-1997028161-A1 | NOVEL PYRROLO[2,3-D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS | NOVARTIS AG (CH) | 1997-08-07 | — | — | WO | disclosed |