Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.38 |
| ▸ | RAB9A | P51151 | 6/20 | 0.38 |
| ▸ | PKM | P14618 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TYK2 | P29597 | 2/20 | 0.33 |
| ▸ | DRD4 | P21917 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | HTR1F | P30939 | 4/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | WDR5 | P61964 | 1/20 | 0.30 |
| ▸ | HTR1D | P28221 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7216812 | 0.84 | NPC1 (0.56) | NPC1RAB9APKMALDH1A1LMNA | |
| SCHEMBL7222852 | 0.79 | NPC1 (0.43) | NPC1RAB9APKMALDH1A1LMNA | |
| SCHEMBL6834487 | 0.78 | GAA (0.43) | NPC1RAB9APKMALDH1A1DRD4 | |
| SCHEMBL7218324 | 0.78 | MAPT (0.42) | NPC1RAB9APKMALDH1A1LMNA | |
| SCHEMBL7216813 | 0.77 | F10 (0.39) | NPC1RAB9A | |
| SCHEMBL6834466 | 0.77 | KMT2A (0.37) | NPC1RAB9AALDH1A1DRD4DRD2 | |
| SCHEMBL7216265 | 0.76 | NPC1 (0.38) | NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL6834309 | 0.75 | LMNA (0.42) | NPC1RAB9APKMALDH1A1LMNA | |
| SCHEMBL6831069 | 0.74 | NAMPT (0.53) | NPC1RAB9AALDH1A1 | |
| SCHEMBL6304803 | 0.74 | DRD4 (0.44) | ALDH1A1DRD4DRD2 |
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-6653471-B2 | Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction | NEUROGEN CORPORATION | 2003-11-25 | — | — | US | disclosed |