Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | NPC1 | O15118 | 6/20 | 0.42 |
| ▸ | RAB9A | P51151 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
| ▸ | PKM | P14618 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | NCF1 | P14598 | 3/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30154321 | 0.79 | PDE10A (0.37) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL13168578 | 0.78 | — | — | |
| SCHEMBL27976769 | 0.78 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL11464180 | 0.78 | KDM4E (0.40) | ALDH1A1MAPTHPGDCYP1A2KDM4E | |
| SCHEMBL3245963 | 0.75 | NPC1 (0.44) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL20927447 | 0.74 | HTR3A (0.35) | ALDH1A1MAPTHPGDHCRTR1CYP1A2 | |
| SCHEMBL30435842 | 0.74 | CYP1A2 (0.46) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL22237907 | 0.73 | TDP1 (0.44) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL12958751 | 0.72 | MEN1 (0.52) | ALDH1A1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL21003780 | 0.72 | MEN1 (0.52) | ALDH1A1RAB9AMEN1KMT2AMAPT |
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-5324725-A | Antiinflammatory agent, antiallergen | KALI-CHEMIE PHARMA GMBH (DE) | 1994-06-28 | — | — | US | disclosed |
| CN-1069732-A | 1, the 2-that 7-a pair of horses going side by side is closed (piperazine alkyl) indole derivatives and preparation method and intermediate product and the medicament that contains these compounds | KALI CHEMIE PHARMA GMBH (DE) | 1993-03-10 | — | — | CN | disclosed |