Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.73 |
| ▸ | LMNA | P02545 | 4/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.69 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | SRC | P12931 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Mandelic Acid SCHEMBL4319576 | 0.85 | LMNA (0.95) | TSHRLMNAMAPK1CES2CES1 | |
| Mandelic Acid SCHEMBL4047737 | 0.85 | LMNA (0.95) | TSHRLMNAMAPK1CES2CES1 | |
| SCHEMBL1820543 | 0.85 | TSHR (1.00) | TSHRLMNAMAPK1HPGDTRPA1 | |
| Mandelic Acid SCHEMBL19283553 | 0.85 | LMNA (0.95) | TSHRLMNAMAPK1CES2CES1 | |
| SCHEMBL21114421 | 0.85 | TSHR (1.00) | TSHRLMNAMAPK1HPGDTRPA1 | |
| SCHEMBL6061809 | 0.85 | TSHR (1.00) | TSHRLMNAMAPK1HPGDTRPA1 | |
| SCHEMBL196731 | 0.85 | TSHR (1.00) | TSHRLMNAMAPK1HPGDTRPA1 | |
| Mandelic Acid SCHEMBL4319572 | 0.85 | LMNA (0.95) | TSHRLMNAMAPK1CES2CES1 | |
| Mandelic Acid SCHEMBL29454372 | 0.85 | LMNA (0.69) | TSHRLMNAMAPK1CES2CES1 | |
| Acetic Acid SCHEMBL7763816 | 0.84 | TSHR (0.79) | TSHRLMNAMAPK1CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007094885-A2 | IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE | SOUTHERN METHODIST UNIVERSITY (US) | 2007-08-23 | — | — | WO | disclosed |