Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.43 |
| ▸ | TOP2A | P11388 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2967916 | 0.84 | CALM1 (0.45) | ALDH1A1KDM4ETSHRKMT2AMEN1 | |
| SCHEMBL10773862 | 0.83 | ALDH1A1 (0.57) | ALDH1A1KDM4ETSHRKMT2AMEN1 | |
| SCHEMBL1057281 | 0.83 | TAAR1 (0.59) | ALDH1A1TSHRALOX15GAATDP1 | |
| SCHEMBL10762625 | 0.80 | TRPA1 (0.57) | ALDH1A1KDM4ETSHRKMT2AMEN1 | |
| SCHEMBL7253321 | 0.80 | PDE4A (0.52) | ALDH1A1KDM4EKMT2AMAPT | |
| SCHEMBL7315399 | 0.80 | CALM1 (0.56) | ALDH1A1KDM4ETSHRKMT2AMEN1 | |
| SCHEMBL2393479 | 0.80 | APP (0.46) | KMT2AMEN1MAPK1LMNA | |
| SCHEMBL18033844 | 0.79 | MMP3 (0.40) | ALDH1A1TSHRALOX15GAATDP1 | |
| SCHEMBL586875 | 0.79 | ALDH1A1 (0.55) | ALDH1A1KDM4ETSHRKMT2AMEN1 | |
| SCHEMBL31412813 | 0.79 | ALDH1A1 (0.55) | ALDH1A1KDM4ETSHRKMT2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |