Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL27890515 | 0.84 | MEN1 (0.42) | ALDH1A1NPC1KMT2ARAB9ASMN1; SMN2 | |
| P-Cresol SCHEMBL29107236 | 0.83 | ACHE (0.50) | POLBALDH1A1NPC1KMT2ARAB9A | |
| SCHEMBL27510738 | 0.81 | GPR119 (0.36) | ALDH1A1KMT2ARAB9ASMN1; SMN2LMNA | |
| Toluene SCHEMBL26697033 | 0.81 | TSHR (0.44) | POLBALDH1A1NPC1KMT2ARAB9A | |
| SCHEMBL28299259 | 0.81 | ALOX5 (0.46) | POLBALDH1A1NPC1KMT2ARAB9A | |
| SCHEMBL27805296 | 0.80 | LMNA (0.43) | NPC1KMT2ARAB9ASMN1; SMN2RECQL | |
| SCHEMBL27749283 | 0.79 | GRM6 (0.44) | NPC1KMT2ASMN1; SMN2MAPTMEN1 | |
| SCHEMBL517256 | 0.76 | MT-CO2 (0.42) | POLBALDH1A1NPC1KMT2ARAB9A | |
| SCHEMBL28652779 | 0.76 | CYP2D6 (0.40) | POLBALDH1A1NPC1KMT2ARAB9A | |
| SCHEMBL3094 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100402512-C | Benzo [1,2,5] * diazoles and benzo [1,2,5] thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers | NOVARTIS AG (CH) | 2008-07-16 | — | — | CN | disclosed |
| CN-1768047-A | Benzo[1,2,5]oxadiazoles and benzo [1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers. | NOVARTIS AG (CH) | 2006-05-03 | — | — | CN | disclosed |