Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | AOX1 | Q06278 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11046190 | 0.80 | KDM4E (0.47) | NR1I2ALDH1A1SMN1; SMN2HPGDPOLB | |
| SCHEMBL11045371 | 0.76 | NR1I2 (0.50) | NR1I2CYP1A2CYP2C19TRPA1CYP2C9 | |
| SCHEMBL11042696 | 0.75 | CYP1A2 (0.45) | CYP1A2CYP2C19TRPA1CYP3A4CYP2C9 | |
| SCHEMBL10884977 | 0.75 | CYP1A2 (0.45) | CYP1A2CYP2C19TRPA1CYP3A4CYP2C9 | |
| SCHEMBL11045964 | 0.75 | NR1I2 (0.53) | NR1I2ALDH1A1SMN1; SMN2NPSR1HPGD | |
| SCHEMBL11048410 | 0.72 | NR1I2 (0.42) | NR1I2CYP1A2HIF1AALDH1A1SMN1; SMN2 | |
| SCHEMBL11040968 | 0.71 | NR1I2 (0.46) | NR1I2ALDH1A1NPC1RAB9APOLB | |
| SCHEMBL11043474 | 0.71 | NR1I2 (0.41) | NR1I2ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL15395718 | 0.70 | MEN1 (0.53) | CYP1A2CYP2C19TRPA1CYP3A4CYP2C9 | |
| SCHEMBL11044692 | 0.70 | NR1I2 (0.46) | NR1I2TRPA1CYP2C9ALDH1A1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4473560-A | Diphosphonic acid derivatives and pharmaceutical preparations containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1984-09-25 | — | — | US | disclosed |