Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.31 |
| ▸ | KIT | P10721 | 2/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | PLK4 | O00444 | 1/20 | 0.31 |
| ▸ | GAK | O14976 | 1/20 | 0.31 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.31 |
| ▸ | STK10 | O94804 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | CSF1R | P07333 | 1/20 | 0.31 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8978633 | 0.91 | AURKA (0.32) | AURKAADRA1DADRA1AADRA1BHTR1A | |
| SCHEMBL8978720 | 0.90 | PDGFRB (0.33) | AURKAADRA1DADRA1AADRA1BHTR1A | |
| SCHEMBL8978698 | 0.89 | PDGFRB (0.31) | AURKAADRA1DADRA1AADRA1BHTR1A | |
| SCHEMBL8978667 | 0.82 | HTR1A (0.48) | ADRA1DADRA1AADRA1BHTR1A | |
| SCHEMBL9371584 | 0.74 | ENPP1 (0.39) | AURKAADRA1DADRA1AADRA1BHTR1A | |
| SCHEMBL8978733 | 0.74 | HTR1A (0.45) | ADRA1DADRA1AADRA1BHTR1A | |
| SCHEMBL8978730 | 0.73 | HTR1A (0.46) | ADRA1DADRA1AADRA1BHTR1A | |
| SCHEMBL6762958 | 0.72 | ENPP1 (0.40) | AURKAADRA1DADRA1AADRA1BHTR1A | |
| SCHEMBL8978724 | 0.71 | HTR1A (0.45) | ADRA1DADRA1AADRA1BHTR1A | |
| SCHEMBL4558082 | 0.70 | ADRA1D (0.46) | AURKAADRA1DADRA1AADRA1BHTR1A |
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-5521188-A | Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-05-28 | — | — | US | disclosed |
| EP-0645385-A1 | Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines | Bristol-Myers Squibb Company (US) | 1995-03-29 | — | — | EP | disclosed |