Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 10/20 | 0.42 |
| ▸ | IDH1 | O75874 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1543797 | 0.74 | S1PR1 (0.45) | S1PR1S1PR3TSHRALDH1A1ALOX15 | |
| SCHEMBL19981319 | 0.72 | RAB9A (0.56) | HPGDTSHRUSP2LMNAALDH1A1 | |
| SCHEMBL19981345 | 0.71 | CNR2 (0.39) | S1PR1LMNATP53ALDH1A1CNR1 | |
| SCHEMBL1703767 | 0.70 | AKR1B1 (0.50) | S1PR1S1PR3TSHRCNR1CNR2 | |
| SCHEMBL19981353 | 0.70 | MAPT (0.43) | S1PR1S1PR3HPGDTSHRUSP2 | |
| SCHEMBL772948 | 0.70 | HPGD (0.39) | S1PR1S1PR3HPGDTSHRUSP2 | |
| SCHEMBL19981314 | 0.70 | ACLY (0.41) | S1PR1HPGDTSHRLMNACNR1 | |
| SCHEMBL775210 | 0.68 | S1PR1 (0.43) | S1PR1TSHRLMNATP53ALDH1A1 | |
| SCHEMBL19981321 | 0.68 | KDM4E (0.52) | LMNAALDH1A1 | |
| SCHEMBL14363624 | 0.67 | L3MBTL1 (0.47) | S1PR1TP53 |
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-2018051254-A1 | CYCLIC SUBSTITUTED-1,2,4-OXADIAZOLE COMPOUNDS AS IMMUNOMODULATORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2018-03-22 | — | — | WO | disclosed |