Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | CCR2 | P41597 | 1/20 | 0.54 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | P4HB | P07237 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6202507 | 0.83 | SMN1; SMN2 (0.48) | SLC22A1ALDH1A1KDM4ELMNACYP1A2 | |
| SCHEMBL9019287 | 0.82 | CCR2 (0.59) | SLC22A1ALDH1A1KDM4ECCR2CTDSP1 | |
| SCHEMBL6203337 | 0.80 | TDP1 (0.50) | ALDH1A1LMNACYP1A2TSHRSMN1; SMN2 | |
| SCHEMBL6201593 | 0.79 | ALDH1A1 (0.54) | ALDH1A1KDM4ELMNASMN1; SMN2TDP1 | |
| Maleic Acid SCHEMBL9184503 | 0.77 | CCR2 (0.54) | SLC22A1ALDH1A1KDM4ECCR2CTDSP1 | |
| Hydrochloric Acid SCHEMBL10525622 | 0.77 | ALDH1A1 (0.52) | ALDH1A1KDM4ELMNAHTTSMN1; SMN2 | |
| SCHEMBL6202712 | 0.77 | SMN1; SMN2 (0.49) | SLC22A1ALDH1A1KDM4ELMNASMN1; SMN2 | |
| Camylofin SCHEMBL617472 | 0.77 | SLC22A1 (1.00) | SLC22A1ALDH1A1KDM4ECCR2CTDSP1 | |
| SCHEMBL6321040 | 0.76 | HAT1 (0.54) | — | |
| Camylofin SCHEMBL10867839 | 0.76 | SLC22A1 (0.98) | SLC22A1ALDH1A1KDM4ECCR2CTDSP1 |
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-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |