Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.59 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.48 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21981938 | 0.88 | HTT (0.67) | HTTSETD7CYP2C19MEN1CYP1A2 | |
| SCHEMBL17693443 | 0.87 | HTT (0.54) | HTTCYP2C19MEN1CYP1A2KMT2A | |
| SCHEMBL18914738 | 0.87 | HTT (0.58) | HTTCYP2C19MEN1CYP1A2KMT2A | |
| SCHEMBL18104617 | 0.85 | HTT (0.56) | HTTCYP2C19MEN1CYP1A2KMT2A | |
| SCHEMBL18914367 | 0.83 | HTT (0.50) | HTTSETD7CYP2C19MEN1CYP1A2 | |
| SCHEMBL21981941 | 0.82 | HPGD (0.45) | HTTSETD7ALDH1A1NPSR1HPGD | |
| SCHEMBL22894613 | 0.82 | CYP4F2 (0.49) | HTTCYP2C19MEN1CYP1A2KMT2A | |
| SCHEMBL28426282 | 0.82 | TSHR (0.53) | HTTCYP2C19MEN1CYP1A2KMT2A | |
| SCHEMBL18914368 | 0.82 | HTT (0.49) | HTTCYP2C19MEN1CYP1A2KMT2A | |
| SCHEMBL19981453 | 0.81 | HTT (0.51) | HTTCYP2C19MEN1CYP1A2KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019182693-A1 | FUNCTIONALIZED BIFURAN AND SYNTHESIS THEREOF | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2019-09-26 | — | — | WO | disclosed |