Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 2/20 | 0.43 |
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL7337400 | 1.00 | SMPD1 (0.43) | SMPD1KDM1AMAOAMAOBHTR2A | |
| SCHEMBL8652839 | 1.00 | SMPD1 (0.43) | SMPD1KDM1AMAOAMAOBHTR2A | |
| SCHEMBL8650740 | 0.86 | KDM1A (0.46) | KDM1AMAOALTA4HNPY5RSIGMAR1 | |
| SCHEMBL8654440 | 0.86 | KDM1A (0.46) | KDM1AMAOALTA4HNPY5RSIGMAR1 | |
| SCHEMBL7330311 | 0.86 | KDM1A (0.46) | KDM1AMAOALTA4HNPY5RSIGMAR1 | |
| SCHEMBL7331009 | 0.84 | LTA4H (0.41) | HTR2APOLBKMT2ALTA4H | |
| SCHEMBL605742 | 0.83 | HTR2A (0.45) | HTR2ANPY5RSIGMAR1 | |
| Hydrochloric Acid SCHEMBL7336299 | 0.83 | POLB (0.40) | HTR2APOLBKMT2ALTA4H | |
| SCHEMBL8653729 | 0.82 | KDM1A (0.38) | KDM1AMAOAMAOBHTR2ALTA4H | |
| SCHEMBL7337058 | 0.82 | KDM1A (0.38) | KDM1AMAOAMAOBHTR2ALTA4H |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0711271-B1 | AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1998-10-07 | — | — | EP | disclosed |
| EP-0711271-A1 | AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-05-15 | — | — | EP | disclosed |
| WO-1995004027-A1 | AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-02-09 | — | — | WO | disclosed |