Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL29440232 | 0.99 | HTT (0.47) | HTTALDH1A1SMN1; SMN2CYP1A1CYP1B1 | |
| Bromide SCHEMBL22749450 | 0.99 | HTT (0.47) | HTTALDH1A1SMN1; SMN2CYP1A1CYP1B1 | |
| SCHEMBL22749620 | 0.99 | HTT (0.47) | HTTALDH1A1SMN1; SMN2CYP1A1CYP1B1 | |
| Bromide SCHEMBL22749449 | 0.97 | HTT (0.46) | HTTALDH1A1SMN1; SMN2CYP1A1CYP1B1 | |
| Bromide SCHEMBL4942000 | 0.83 | SMN1; SMN2 (0.55) | HTTALDH1A1SMN1; SMN2CYP1A1CYP1B1 | |
| Bromide SCHEMBL31502679 | 0.83 | SMN1; SMN2 (0.47) | HTTALDH1A1SMN1; SMN2CYP1A1CYP1B1 | |
| Bromide SCHEMBL31502675 | 0.83 | SMN1; SMN2 (0.47) | HTTALDH1A1SMN1; SMN2CYP1A1CYP1B1 | |
| Bromide SCHEMBL31502642 | 0.81 | CYP1A1 (0.52) | HTTALDH1A1SMN1; SMN2CYP1A1CYP1B1 | |
| SCHEMBL6738699 | 0.80 | SLC2A1 (0.54) | HTTALDH1A1SMN1; SMN2CYP1A1CYP1B1 | |
| SCHEMBL22749443 | 0.78 | SMN1; SMN2 (0.64) | HTTALDH1A1SMN1; SMN2CYP1A1CYP1B1 |
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-2020247336-A1 | PIFITHRIN ANALOGUES AND METHODS OF TREATING RETT SYNDROME | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2020-12-10 | — | — | WO | disclosed |