Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.36 |
| ▸ | DRD1 | P21728 | 4/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | DRD5 | P21918 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | QPCT | Q16769 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8559319 | 0.97 | TMEM97 (0.36) | PARP1DRD1DRD2DRD4DRD5 | |
| SCHEMBL8562403 | 0.89 | HTR6 (0.40) | PARP1DRD1DRD2HTR6QPCT | |
| SCHEMBL8557053 | 0.86 | HTR6 (0.41) | PARP1HTR6QPCT | |
| SCHEMBL8560491 | 0.84 | HTR6 (0.43) | PARP1HTR6CYP3A4QPCT | |
| SCHEMBL8564812 | 0.83 | ESR1 (0.31) | QPCTPTGER4PTGER3PTGER2 | |
| SCHEMBL8559860 | 0.82 | PARP1 (0.39) | PARP1SIGMAR1QPCT | |
| Hydrochloric Acid SCHEMBL8563477 | 0.82 | PARP1 (0.38) | PARP1SIGMAR1QPCT | |
| SCHEMBL8559323 | 0.80 | PARP1 (0.37) | PARP1SIGMAR1TMEM97QPCT | |
| SCHEMBL8573544 | 0.76 | P2RX3 (0.35) | PTGER4PTGER3PTGER2 | |
| Hydrochloric Acid SCHEMBL8560445 | 0.76 | QPCT (0.39) | PARP1DRD1SIGMAR1TMEM97QPCT |
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 |
|---|---|---|---|---|---|---|---|
| US-5827849-A | HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT | KARL THOMAE GMBH (DE) | 1998-10-27 | — | — | US | disclosed |