Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.65 |
| ▸ | RAB9A | P51151 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.62 |
| ▸ | RELA | Q04206 | 1/20 | 0.60 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.56 |
| ▸ | SRC | P12931 | 1/20 | 0.56 |
| ▸ | FBP1 | P09467 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.55 |
| ▸ | NQO2 | P16083 | 1/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.53 |
| ▸ | TUBB | P07437 | 1/20 | 0.53 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.53 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29399968 | 1.00 | NPC1 (0.65) | NPC1RAB9ATDP1CHRM5RELA | |
| SCHEMBL23188 | 1.00 | NPC1 (0.65) | NPC1RAB9ATDP1CHRM5RELA | |
| SCHEMBL29998099 | 0.98 | NPC1 (0.63) | NPC1RAB9ATDP1CHRM5RELA | |
| Ethane SCHEMBL1494210 | 0.98 | NPC1 (0.63) | NPC1RAB9ATDP1CHRM5RELA | |
| Naphthalene SCHEMBL28157566 | 0.92 | NPC1 (0.58) | NPC1RAB9ATDP1CHRM5RELA | |
| SCHEMBL17099392 | 0.92 | NPC1 (0.58) | NPC1RAB9ATDP1CHRM5RELA | |
| Alcohol SCHEMBL28509882 | 0.91 | NPC1 (0.60) | NPC1RAB9ATDP1CHRM5RELA | |
| 3-Hydroxybenzaldehyde SCHEMBL10799855 | 0.91 | ABL1 (0.62) | NPC1RAB9ATDP1CHRM5RELA | |
| Ethylene Glycol SCHEMBL28606580 | 0.91 | NPC1 (0.60) | NPC1RAB9ATDP1CHRM5RELA | |
| Sulfuric Acid SCHEMBL8608191 | 0.91 | NPC1 (0.56) | NPC1RAB9ATDP1CHRM5RELA |
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-6417195-B1 | LIBRARIES AND COMBINATORIAL CHEMISTRY | LION BIOSCIENCE AG (DE) | 2002-07-09 | — | — | US | disclosed |
| US-5874443-A | BIOSYNTHESIS | TREGA BIOSCIENCES, INC. (US) | 1999-02-23 | — | — | US | disclosed |