Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | ELANE | P08246 | 2/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11529960 | 0.82 | TDP1 (0.45) | ALDH1A1CYP1A2CYP2C19TDP1MEN1 | |
| SCHEMBL11527904 | 0.81 | ALDH1A1 (0.42) | ALDH1A1SLC18A3CYP1A2CYP2C19ELANE | |
| SCHEMBL11526836 | 0.75 | ALDH1A1 (0.38) | ALDH1A1ELANELMNACYP3A4 | |
| SCHEMBL11525262 | 0.75 | ALDH1A1 (0.38) | ALDH1A1CYP2C19LMNAALOX15TSHR | |
| SCHEMBL7522914 | 0.75 | BACE1 (0.40) | ALDH1A1CYP1A2ELANEPTGS1SLC6A3 | |
| SCHEMBL7117273 | 0.70 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP2C19SLC6A3LMNA | |
| SCHEMBL9354912 | 0.70 | LMNA (0.42) | ALDH1A1SLC6A3LMNAMEN1KMT2A | |
| SCHEMBL11594239 | 0.69 | ALDH1A1 (0.33) | ALDH1A1CYP3A4 | |
| SCHEMBL9354923 | 0.68 | LMNA (0.38) | SLC6A3LMNAMEN1KMT2AHPGD | |
| Biphenyl SCHEMBL11403488 | 0.68 | ALDH1A1 (0.88) | ALDH1A1SLC6A3LMNAIDH1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4132750-A | RING OPENING POLYMERIZATION OF NORBORNENE DERIVATIVES | SHOWA DENKO K.K. (JP) | 1979-01-02 | — | — | US | disclosed |
| US-3959234-A | CATALYSTS OF ORGANOALUMINUM COMPOUNDS AND A TUNGSTEN OR MOLYBDENUM COMPOUND, RING-OPENING | SHOWA DENKO KABUSHIKI KAISHA (JA) | 1976-05-25 | — | — | US | disclosed |