Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR2 | O60603 | 8/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 5/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSH | P09668 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19851669 | 0.77 | TLR2 (0.48) | TLR2 | |
| Benzene SCHEMBL27952372 | 0.75 | MAOA (0.65) | ALDH1A1HPGDCNR1CNR2SIGMAR1 | |
| SCHEMBL9320936 | 0.74 | MAOA (0.62) | ALDH1A1HPGDCNR1CNR2SIGMAR1 | |
| SCHEMBL2368921 | 0.73 | EPHX2 (0.50) | TLR2ALDH1A1HPGDCNR1CNR2 | |
| SCHEMBL21657637 | 0.72 | KDM4E (0.59) | TLR2ALDH1A1HPGDCNR1CNR2 | |
| SCHEMBL2368549 | 0.72 | ALDH1A1 (0.48) | TLR2ALDH1A1HPGDSMN1; SMN2CNR1 | |
| SCHEMBL29255909 | 0.71 | SIGMAR1 (0.47) | SMN1; SMN2CTSKSIGMAR1CTSLCTSB | |
| SCHEMBL21657633 | 0.71 | MAOA (0.62) | ALDH1A1CNR1CNR2SIGMAR1KDM4E | |
| SCHEMBL19851489 | 0.71 | TSHR (0.55) | TLR2ALDH1A1HPGDSMN1; SMN2CNR1 | |
| SCHEMBL20376441 | 0.70 | MAOA (0.67) | ALDH1A1SMN1; SMN2CNR1CNR2SIGMAR1 |
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-2018026866-A1 | LIPID-SUBSTITUTED AMINO 1,2-AND 1,3-DIOL COMPOUNDS AS MODULATORS OF TLR2 DIMERIZATION | NEUROPORE THERAPIES, INC. (US) | 2018-02-08 | — | — | WO | disclosed |