Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | IL2 | P60568 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4064010 | 0.81 | TYK2 (0.45) | ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL4059298 | 0.81 | TYK2 (0.50) | ALDH1A1RAB9AL3MBTL1MAPTNPSR1 | |
| SCHEMBL12156066 | 0.78 | MET (0.51) | ALDH1A1SMN1; SMN2NPC1RAB9APKM | |
| SCHEMBL12156070 | 0.76 | MET (0.51) | ALDH1A1SMN1; SMN2NPC1RAB9APKM | |
| SCHEMBL4058628 | 0.74 | RAB9A (0.61) | ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL17244759 | 0.74 | GRM8 (0.51) | RAB9AMAPTLMNAPOLB | |
| SCHEMBL1701212 | 0.73 | CDK1 (0.53) | ALDH1A1SMN1; SMN2NPC1RAB9APKM | |
| SCHEMBL12156067 | 0.72 | MEN1 (0.53) | SMN1; SMN2NPC1RAB9AL3MBTL1MAPT | |
| SCHEMBL4064006 | 0.72 | HPGD (0.47) | RAB9AMEN1KMT2AHPGDPOLB | |
| SCHEMBL17244760 | 0.72 | GRM8 (0.46) | NPC1RAB9ASCN9AMAPTLMNA |
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-9120751-B2 | Compounds that modulate intracellular calcium | CALCIMEDICA, INC. (US) | 2015-09-01 | — | — | US | disclosed |