Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | PLK2 | Q9NYY3 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL776632 | 0.85 | NPC1 (0.47) | NPC1RAB9AKMT2AMEN1ESR1 | |
| SCHEMBL29399907 | 0.83 | NPC1 (0.46) | NPC1RAB9AKMT2AMEN1ESR1 | |
| SCHEMBL28038871 | 0.83 | NPC1 (0.46) | NPC1RAB9AKMT2AMEN1ESR1 | |
| SCHEMBL28698767 | 0.83 | MAPT (0.47) | NPC1RAB9AKMT2AMEN1ESR1 | |
| SCHEMBL10500574 | 0.81 | NPC1 (0.45) | NPC1RAB9AKMT2AMEN1ESR1 | |
| SCHEMBL779011 | 0.80 | NPC1 (0.44) | NPC1RAB9AKMT2AMEN1ESR1 | |
| SCHEMBL11872453 | 0.79 | ALDH1A1 (0.58) | NPC1RAB9AKMT2AMEN1CA1 | |
| SCHEMBL16322651 | 0.79 | L3MBTL1 (0.50) | NPC1RAB9AKMT2AMEN1ESR1 | |
| SCHEMBL27381756 | 0.79 | CA1 (0.44) | KMT2ACA1CA2CA5ACA9 | |
| SCHEMBL777725 | 0.77 | NPC1 (0.45) | NPC1RAB9AKMT2AMEN1ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1780823-A | Heteroaromatic pentacyclic compound and medicinal use thereof | JAPAN TOBACCO INC (JP) | 2006-05-31 | — | — | CN | claimed |
| CN-1780823-A | Heteroaromatic pentacyclic compound and medicinal use thereof | JAPAN TOBACCO INC (JP) | 2006-05-31 | — | — | CN | disclosed |