Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 5/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6502000 | 0.81 | NOS3 (0.34) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL3660321 | 0.81 | PSEN1 (0.40) | SLC6A3EDNRAMAPK1 | |
| SCHEMBL193931 | 0.79 | CYP2D6 (0.48) | ALDH1A1MAPTKDM4ELMNATSHR | |
| SCHEMBL1515700 | 0.76 | LMNA (0.46) | ALDH1A1SMN1; SMN2SLC6A3LMNATSHR | |
| SCHEMBL1515743 | 0.76 | ACP3 (0.50) | SMN1; SMN2GAAMAPTLMNATSHR | |
| Formic Acid SCHEMBL28298598 | 0.73 | CYP2D6 (0.48) | MAPTKDM4ECYP1A2LMNACYP2D6 | |
| SCHEMBL1515719 | 0.73 | IDO1 (0.46) | CYP2D6NPSR1 | |
| SCHEMBL1515718 | 0.73 | IDO1 (0.46) | ALDH1A1SMN1; SMN2GAAMAPTKDM4E | |
| SCHEMBL28806177 | 0.73 | KMT2A (0.40) | ALDH1A1SMN1; SMN2SLC6A3MAPTKDM4E | |
| SCHEMBL1515763 | 0.72 | SLC6A3 (0.58) | ALDH1A1SLC6A3GAAMAPTKDM4E |
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-2593426-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007365-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |