Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 5/20 | 0.39 |
| ▸ | HTR2C | P28335 | 5/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL5847077 | 0.97 | NPC1 (0.40) | NPC1RAB9AMMP13HTR2AHTR2C | |
| SCHEMBL5847308 | 0.89 | USP30 (0.41) | NPC1RAB9AHTR2AHTR2CHTR2B | |
| SCHEMBL5846966 | 0.89 | HTR2A (0.43) | NPC1RAB9AHTR2AHTR2CHTR2B | |
| SCHEMBL5846974 | 0.88 | NPC1 (0.40) | NPC1RAB9AHTR2AHTR2CHTR2B | |
| SCHEMBL5847223 | 0.88 | HTR2C (0.41) | NPC1RAB9AHTR2AHTR2CHTR2B | |
| SCHEMBL5846980 | 0.87 | STS (0.41) | NPC1RAB9AHTR2AHTR2CHTR2B | |
| SCHEMBL5846954 | 0.87 | TP53 (0.42) | NPC1RAB9AUSP30 | |
| SCHEMBL5848083 | 0.87 | USP30 (0.40) | NPC1RAB9AGPR119PTPN2PTPN1 | |
| SCHEMBL5847354 | 0.86 | HTR2A (0.44) | NPC1RAB9AHTR2AHTR2CGPR119 | |
| SCHEMBL5415767 | 0.86 | HTR2C (0.41) | HTR2AHTR2CHTR2BDRD2HTR1A |
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-7081455-B2 | Substituted heterocycle fused gamma-carbolines | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-07-25 | — | — | US | disclosed |