Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.35 |
| ▸ | GABRE | P78334 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.35 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2721516 | 1.00 | ALDH1A1 (0.42) | ALDH1A1PKMSMN1; SMN2CXCR4TSHR | |
| Trifluoroacetic Acid SCHEMBL15513075 | 0.97 | ALDH1A1 (0.47) | ALDH1A1PKMSMN1; SMN2CXCR4TSHR | |
| Trifluoroacetic Acid SCHEMBL15513076 | 0.97 | ALDH1A1 (0.47) | ALDH1A1PKMSMN1; SMN2CXCR4TSHR | |
| Azepane SCHEMBL2266019 | 0.97 | ALDH1A1 (0.47) | ALDH1A1PKMSMN1; SMN2CXCR4TSHR | |
| Trifluoroacetic Acid SCHEMBL6628924 | 0.97 | ALDH1A1 (0.47) | ALDH1A1PKMSMN1; SMN2CXCR4TSHR | |
| Trifluoroacetic Acid SCHEMBL980146 | 0.97 | ALDH1A1 (0.47) | ALDH1A1PKMSMN1; SMN2CXCR4TSHR | |
| Trifluoroacetic Acid SCHEMBL28873579 | 0.97 | ALDH1A1 (0.40) | ALDH1A1PKMSMN1; SMN2CXCR4TSHR | |
| Trifluoroacetic Acid SCHEMBL28317264 | 0.95 | ALDH1A1 (0.45) | ALDH1A1PKMSMN1; SMN2CXCR4TSHR | |
| Trifluoroacetic Acid SCHEMBL15355467 | 0.94 | TSHR (0.37) | ALDH1A1PKMSMN1; SMN2CXCR4TSHR | |
| Trifluoroacetic Acid SCHEMBL3983920 | 0.92 | SMN1; SMN2 (0.47) | ALDH1A1PKMSMN1; SMN2CXCR4TSHR |
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-2004076434-A1 | DIPEPTIDYL PEPTIDASE INHIBITORS | AIC (BE) | 2004-09-10 | — | — | WO | disclosed |