Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Valine SCHEMBL7169984 | 0.90 | TSHR (0.53) | CTSDALDH1A1TSHRGLASLC7A5 | |
| SCHEMBL115478 | 0.83 | CTSD (0.65) | CTSDALDH1A1TSHRNPC1GAA | |
| SCHEMBL10766788 | 0.83 | CTSD (0.65) | CTSDALDH1A1TSHRNPC1GAA | |
| Hydrochloric Acid SCHEMBL8025084 | 0.81 | CTSD (0.62) | CTSDALDH1A1TSHRNPC1GAA | |
| Hydrochloric Acid SCHEMBL10550781 | 0.81 | CTSD (0.62) | CTSDALDH1A1TSHRNPC1GAA | |
| Nitrobenzene SCHEMBL9768008 | 0.79 | ALDH1A1 (0.55) | ALDH1A1TSHRSLC7A5NPC1RAB9A | |
| Alcohol SCHEMBL6835144 | 0.79 | CTSD (0.60) | CTSDALDH1A1TSHRGAASMN1; SMN2 | |
| Anthranilamide SCHEMBL2834554 | 0.77 | SLC7A5 (0.50) | ALDH1A1TSHRSLC7A5GAAMAPT | |
| Sodium Chloride SCHEMBL9877634 | 0.77 | CTSD (0.57) | CTSDALDH1A1TSHRNPC1GAA | |
| Alanine SCHEMBL27675387 | 0.75 | MAPK1 (0.51) | CTSDALDH1A1TSHRGLANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6218393-B1 | IN THERAPY OF MULTIDRUG RESISTANT CANCERS, FOR EXAMPLE TO POTENTIATE CYTOTOXICITY OF CANCER DRUG | XENOVA LIMITED (GB) | 2001-04-17 | — | — | US | disclosed |