Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 5/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.45 |
| ▸ | PLD1 | Q13393 | 2/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.41 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.41 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.40 |
| ▸ | HTR5A | P47898 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5758464 | 0.81 | ROCK2 (0.40) | SMARCA2SMARCA4PBRM1ROCK1CDC42BPB | |
| SCHEMBL5755967 | 0.79 | PIK3CA (0.42) | NCF1ROCK1CDC42BPBALDH1A1 | |
| SCHEMBL15124818 | 0.79 | SMARCA2 (0.48) | NCF1ADRB2PLD1ADRB1HTR2A | |
| SCHEMBL5276190 | 0.77 | NCF1 (0.41) | NCF1ADRB2PLD1ADRB1HTR2A | |
| SCHEMBL4727168 | 0.76 | NCF1 (0.40) | NCF1ADRB2PLD1ADRB1HTR2A | |
| SCHEMBL26599851 | 0.75 | HTR2A (0.61) | NCF1ADRB2PLD1ADRB1HTR2A | |
| SCHEMBL194495 | 0.75 | NCF1 (0.42) | NCF1ADRB2PLD1ADRB1HTR2A | |
| SCHEMBL26669631 | 0.75 | NCF1 (0.49) | NCF1ADRB2ADRB1DRD2DRD3 | |
| SCHEMBL31651969 | 0.75 | NCF1 (0.49) | NCF1ADRB2ADRB1DRD2DRD3 | |
| SCHEMBL5759411 | 0.74 | ADRB2 (0.43) | ADRB2ADRB1HTR2ADRD2DRD1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2205609-A2 | HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES | Boehringer Ingelheim International GmbH (DE) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009050242-A2 | HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |