Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LSS | P48449 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LYN | P07948 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | ATP4A | P20648 | 2/20 | 0.35 |
| ▸ | ATP4B | P51164 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8356700 | 0.83 | HTT (0.46) | HTTLMNACYP1A2CYP2D6KDM4E | |
| SCHEMBL8359595 | 0.82 | KDM4E (0.45) | HTTLMNACYP1A2CYP2D6KDM4E | |
| SCHEMBL8359494 | 0.76 | KDM4E (0.50) | LMNAKDM4EALDH1A1TP53NPC1 | |
| SCHEMBL8358031 | 0.71 | KDM4E (0.53) | LMNAKDM4EALDH1A1TP53NPC1 | |
| SCHEMBL8552033 | 0.70 | LMNA (0.52) | HTTLMNACYP1A2CYP2D6KDM4E | |
| SCHEMBL8361579 | 0.69 | HTT (0.53) | HTTLMNACYP1A2CYP2D6ATP4A | |
| SCHEMBL9290571 | 0.66 | CYP2D6 (0.43) | HTTLMNACYP1A2CYP2D6KDM4E | |
| SCHEMBL8515531 | 0.65 | LYN (0.42) | HTTLMNACYP1A2CYP2D6KDM4E | |
| SCHEMBL8515940 | 0.65 | KDM4E (0.48) | HTTLMNACYP1A2CYP2D6KDM4E | |
| SCHEMBL8357719 | 0.65 | LMNA (0.58) | HTTLMNACYP1A2CYP2D6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0824529-A1 | BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM | Dr. Karl Thomae GmbH (DE) | 1998-02-25 | — | — | EP | disclosed |
| WO-1996035681-A1 | BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1996-11-14 | — | — | WO | disclosed |