Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | USP2 | O75604 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CASP1 | P29466 | 4/20 | 0.40 |
| ▸ | CASP7 | P55210 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | GHSR | Q92847 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 2/20 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL8368507 | 0.92 | BRD4 (0.43) | BRD4GHSRCFTRACP1CNR2 | |
| Trifluoroacetic Acid SCHEMBL8516220 | 0.90 | BRD4 (0.47) | ALDH1A1USP2CYP1A2BRD4MEN1 | |
| Trifluoroacetic Acid SCHEMBL8516759 | 0.87 | ALDH1A1 (0.46) | ALDH1A1USP2CYP1A2MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL8516225 | 0.87 | BRD4 (0.39) | ALDH1A1BRD4MEN1KMT2AHIF1A | |
| Trifluoroacetic Acid SCHEMBL8516996 | 0.87 | ALDH1A1 (0.42) | ALDH1A1USP2CYP1A2MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL8515904 | 0.86 | ALDH1A1 (0.45) | ALDH1A1USP2CYP1A2MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL8516454 | 0.86 | CNR2 (0.41) | BRD4GHSRCFTRACP1CNR2 | |
| Trifluoroacetic Acid SCHEMBL8516292 | 0.85 | ALDH1A1 (0.44) | ALDH1A1USP2CYP1A2MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL8516447 | 0.84 | ALDH1A1 (0.44) | ALDH1A1USP2CYP1A2MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL8516678 | 0.84 | ALDH1A1 (0.42) | ALDH1A1USP2CYP1A2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999046260-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | claimed |
| WO-1999046260-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | disclosed |