Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11726115 | 0.80 | CASP3 (0.48) | CASP3MAPTPOLBTP53SMN1; SMN2 | |
| SCHEMBL11725391 | 0.78 | CASP3 (0.55) | CASP3MAPTPOLBTP53SMN1; SMN2 | |
| SCHEMBL11729892 | 0.73 | MAPT (0.67) | CASP3MAPTPOLBTP53MAPK1 | |
| SCHEMBL11799261 | 0.71 | LCLAT1 (0.49) | CASP3MAPTPOLBTP53KMT2A | |
| SCHEMBL13931000 | 0.69 | NR1H4 (0.63) | CASP3MAPTPOLBTP53SMN1; SMN2 | |
| SCHEMBL11726361 | 0.69 | TAAR1 (0.58) | CASP3MAPTPOLBTP53SMN1; SMN2 | |
| SCHEMBL16152448 | 0.68 | RAB9A (0.61) | CASP3MAPTPOLBTP53SMN1; SMN2 | |
| SCHEMBL13930915 | 0.68 | CASP3 (0.66) | CASP3MAPTPOLBTP53SMN1; SMN2 | |
| SCHEMBL3261588 | 0.66 | CASP3 (1.00) | CASP3MAPTPOLBTP53SMN1; SMN2 | |
| SCHEMBL11805043 | 0.65 | CASP3 (0.48) | CASP3MAPTPOLBTP53SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4065563-A | 3-Hetero-5-isothiocyanophenyl oxadiazoles as antifungal and antibacterial agents | E. R. SQUIBB & SONS, INC. (US) | 1977-12-27 | — | — | US | disclosed |
| US-4022901-A | FUNGICIDAL AND BACTERICIDAL ACTIVITY | E. R. SQUIBB & SONS, INC. (US) | 1977-05-10 | — | — | US | disclosed |