Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 2/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7216813 | 0.91 | F10 (0.39) | NPC1RAB9AMEN1KMT2ATP53 | |
| SCHEMBL7217055 | 0.89 | NPC1 (0.48) | NPC1RAB9AHTTMAPTSMN1; SMN2 | |
| SCHEMBL7222852 | 0.87 | NPC1 (0.43) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL7216469 | 0.83 | NPC1 (0.42) | NPC1RAB9AHTTMAPTSMN1; SMN2 | |
| SCHEMBL6095975 | 0.82 | MAPT (0.40) | NPC1RAB9AALDH1A1HTTMAPT | |
| SCHEMBL6834487 | 0.82 | GAA (0.43) | NPC1RAB9AALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL6834466 | 0.80 | KMT2A (0.37) | NPC1RAB9AALDH1A1HTTMAPT | |
| SCHEMBL7216803 | 0.78 | NR3C1 (0.41) | NPC1RAB9AALDH1A1HTTMAPT | |
| SCHEMBL7216549 | 0.78 | ROCK2 (0.37) | NPC1RAB9ALMNAAURKANR3C1 | |
| SCHEMBL7218324 | 0.77 | MAPT (0.42) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 |
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 |