Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | RORC | P51449 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NCS1 | P62166 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL19612096 | 0.90 | NPC1 (0.45) | ALDH1A1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL19631017 | 0.86 | MEN1 (0.51) | ALDH1A1KDM4EMAPTRORCNPC1 | |
| SCHEMBL19627237 | 0.84 | KDM4E (0.46) | ALDH1A1KDM4EMAPTRORCNPC1 | |
| SCHEMBL19627273 | 0.82 | NPC1 (0.52) | ALDH1A1KDM4EMAPTRORCNPC1 | |
| SCHEMBL19631018 | 0.82 | DYRK1A (0.63) | NPC1RAB9ANCS1DYRK1ACSNK1D | |
| SCHEMBL19612077 | 0.77 | NCS1 (0.45) | ALDH1A1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL19612095 | 0.77 | TMPRSS4 (0.57) | P2RX1MEN1KMT2ATMPRSS4 | |
| SCHEMBL19612116 | 0.76 | MEN1 (0.51) | ALDH1A1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL30810267 | 0.75 | NCS1 (0.41) | ALDH1A1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL27367503 | 0.75 | NCS1 (0.41) | ALDH1A1KDM4EMAPTNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3458454-B1 | 2-HYDROXY-N-(BENZO[D]THIAZOL-2-YL)BENZAMIDE DERIVATIVES AS MITOCHONDRIAL UNCOUPLERS FOR THE TREATMENT OF METABOLIC DISEASES AND CANCER | UNIV RUTGERS (US) | 2021-11-24 | — | — | EP | disclosed |
| WO-2017201313-A1 | NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER | JIN SHENGKAN (US) | 2017-11-23 | — | — | WO | disclosed |