Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | GSTO1 | P78417 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19974323 | 0.79 | NPC1 (0.58) | NPC1RAB9AALDH1A1HPGDHSD17B10 | |
| SCHEMBL19974322 | 0.79 | NPC1 (0.58) | NPC1RAB9AALDH1A1HPGDHSD17B10 | |
| SCHEMBL3989080 | 0.79 | — | — | |
| SCHEMBL564354 | 0.76 | — | — | |
| SCHEMBL2116145 | 0.76 | FFAR2 (0.47) | NPC1RAB9AALDH1A1HPGDHSD17B10 | |
| SCHEMBL9931373 | 0.75 | MAPT (0.50) | NPC1RAB9AALDH1A1HPGDHSD17B10 | |
| SCHEMBL9932220 | 0.75 | POLB (0.47) | ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E | |
| SCHEMBL10467309 | 0.75 | — | — | |
| SCHEMBL7876544 | 0.74 | RAB9A (0.53) | NPC1RAB9AALDH1A1HPGDHSD17B10 | |
| SCHEMBL6380992 | 0.73 | RAB9A (0.70) | NPC1RAB9AALDH1A1HPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005072731-A1 | 3-PHENYL-N- ((1, 3, 4) THIADIAZOL-2-YL) -ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ESTROGEN-RELATED RECEPTORS FOR THE TREATMENT OF E.G. CANCER, RHEUMATOID ARTHRITIS OR NEUROLOGICAL DISORDERS | X-CEPTOR THERAPEUTICS, INC. (US) | 2005-08-11 | — | — | WO | disclosed |