Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL317213 | 0.82 | THRB (0.49) | NPC1ALDH1A1TSHRNAAAEPHX1 | |
| SCHEMBL10818892 | 0.82 | NAAA (0.42) | NPC1NAAAEPHX1SMN1; SMN2GAA | |
| SCHEMBL24603593 | 0.82 | EPHX1 (0.40) | NPC1ALDH1A1NAAAEPHX1LMNA | |
| SCHEMBL2739883 | 0.82 | EPHX1 (0.40) | NPC1ALDH1A1NAAAEPHX1LMNA | |
| SCHEMBL13417682 | 0.81 | NPC1 (0.40) | NPC1NAAAEPHX1HTT | |
| SCHEMBL28970514 | 0.81 | ALDH1A1 (0.39) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| SCHEMBL11688273 | 0.81 | ALDH1A1 (0.39) | ALDH1A1TSHREPHX1CHRM5CHRM1 | |
| SCHEMBL16244272 | 0.80 | NPC1 (0.42) | NPC1TSHRNAAAEPHX1CHRM5 | |
| Cyclohexane SCHEMBL8927660 | 0.80 | ALDH1A1 (0.59) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| SCHEMBL27646066 | 0.79 | THRB (0.50) | NPC1ALDH1A1TSHRNAAAEPHX1 |
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-7671069-B2 | Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 | CHEMOCENTRYX, INC. (US) | 2010-03-02 | — | — | US | disclosed |