Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 4/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL26656754 | 0.83 | TDP1 (0.55) | CTSBTDP1ALDH1A1MAPTMAPK1 | |
| SCHEMBL3873410 | 0.80 | CTSB (0.45) | CTSBTDP1ALDH1A1MAPTMAPK1 | |
| SCHEMBL26656753 | 0.80 | CTSB (0.56) | CTSBTDP1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL26656751 | 0.80 | CTSB (0.56) | CTSBTDP1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL26656750 | 0.80 | CTSB (0.56) | CTSBTDP1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL27552681 | 0.80 | TDP1 (0.52) | CTSBTDP1ALDH1A1MAPTMAPK1 | |
| SCHEMBL6680488 | 0.80 | ALDH1A1 (0.50) | TDP1ALDH1A1MAPTMAPK1KMT2A | |
| SCHEMBL7788656 | 0.76 | TDP1 (0.80) | CTSBTDP1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL28691904 | 0.76 | CTSB (0.47) | CTSBTDP1ALDH1A1MAPTMAPK1 | |
| SCHEMBL27455401 | 0.74 | TSHR (0.68) | CTSBTDP1ALDH1A1MAPTMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2402011-B1 | S-triazolyl alpha-mercaptoacetanilides as inhibitors of HIV reverse transcriptase | ARDEA BIOSCIENCES INC (US) | 2012-11-14 | — | — | EP | disclosed |