Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TLR2 | O60603 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9574071 | 0.93 | CA12 (0.49) | SMN1; SMN2KMT2AALDH1A1TSHRTLR2 | |
| SCHEMBL1172092 | 0.91 | TLR2 (0.44) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL1532583 | 0.91 | TLR2 (0.44) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| Acetic Acid SCHEMBL28235752 | 0.89 | TLR2 (0.43) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL27686619 | 0.87 | CYP1A2 (0.43) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL28191333 | 0.87 | MAPT (0.55) | KMT2ATDP1ALDH1A1TSHRTLR2 | |
| SCHEMBL28377436 | 0.86 | MAPT (0.58) | KMT2AALDH1A1TLR2 | |
| SCHEMBL28378432 | 0.86 | MAPT (0.58) | KMT2AALDH1A1TLR2 | |
| SCHEMBL28378702 | 0.86 | TLR2 (0.43) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL28886779 | 0.86 | MAPT (0.58) | KMT2AALDH1A1TLR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0561758-A2 | Method of preparing optically active homo-beta-amino acids | MONSANTO COMPANY (US) | 1993-09-22 | — | — | EP | disclosed |