Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 3/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15903182 | 0.83 | AURKA (0.51) | AURKARPS6KB1AURKBPARP1KDM4E | |
| SCHEMBL1968501 | 0.82 | BCAT2 (0.46) | AURKARPS6KB1AURKBPARP1KDM4E | |
| SCHEMBL5178386 | 0.81 | PARP1 (0.58) | AURKARPS6KB1AURKBPARP1KDM4E | |
| SCHEMBL5665026 | 0.78 | TRPV1 (0.52) | PARP1TRPV1CASP1 | |
| SCHEMBL17895180 | 0.78 | TLR7 (0.46) | AURKAKDM4EKMT2ANOS3NOS2 | |
| SCHEMBL3620548 | 0.76 | GRM5 (0.51) | PARP1KDM4EALDH1A1LMNATDP1 | |
| SCHEMBL4186883 | 0.75 | KDM4E (0.65) | PARP1KDM4EALDH1A1LMNATDP1 | |
| SCHEMBL27910329 | 0.74 | SYK (0.53) | AURKAKDM4EDHODHSYK | |
| SCHEMBL29455925 | 0.74 | GRM5 (0.50) | PARP1KDM4EALDH1A1LMNATDP1 | |
| SCHEMBL28994207 | 0.74 | AURKA (0.44) | AURKARPS6KB1AURKBPARP1KDM4E |
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-2010034838-A2 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-01 | — | — | WO | claimed |