Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Propane SCHEMBL1683354 | 0.84 | TSHR (0.36) | TSHRTDP1ALDH1A1 | |
| Butane SCHEMBL3799640 | 0.80 | TSHR (0.33) | TSHRTDP1ALDH1A1 | |
| SCHEMBL8913 | 0.78 | — | — | |
| SCHEMBL28365346 | 0.78 | ALDH1A1 (0.46) | TSHRTDP1ALDH1A1 | |
| Ethyl Chloride SCHEMBL11023458 | 0.77 | TSHR (0.31) | TSHRTDP1ALDH1A1 | |
| Alcohol SCHEMBL9655363 | 0.77 | TSHR (0.46) | TSHRTDP1ALDH1A1 | |
| Ethane SCHEMBL15442828 | 0.75 | ALDH1A1 (0.36) | TSHRTDP1ALDH1A1 | |
| Alcohol SCHEMBL4078002 | 0.74 | ALDH1A1 (0.43) | TSHRALDH1A1 | |
| Butane SCHEMBL4463544 | 0.74 | ALDH1A1 (0.38) | TSHRTDP1ALDH1A1 | |
| Hexane SCHEMBL7875362 | 0.74 | TSHR (0.47) | TSHRALDH1A1 |
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-1226167-A1 | MODIFIED PEPTIDES AND PEPTIDOMIMETICS FOR USE IN IMMUNOTHERAPY | Akzo Nobel N.V. (NL) | 2002-07-31 | — | — | EP | disclosed |
| WO-2001029081-A1 | MODIFIED PEPTIDES AND PEPTIDOMIMETICS FOR USE IN IMMUNOTHERAPY | AKZO NOBEL N.V. (NL) | 2001-04-26 | — | — | WO | disclosed |