Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.31 |
| ▸ | APLNR | P35414 | 2/20 | 0.30 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GLI1 | P08151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetamide SCHEMBL27862700 | 0.92 | ALDH1A1 (0.38) | KDM4EMAPTKMT2AATMCYP2D6 | |
| Trifluoroacetamide SCHEMBL17924048 | 0.92 | ALDH1A1 (0.45) | KDM4EMAPTKMT2AATMCYP2D6 | |
| Trifluoroacetamide SCHEMBL5057811 | 0.84 | ALDH1A1 (0.33) | LMNAALDH1A1 | |
| Trifluoroacetamide SCHEMBL27678123 | 0.80 | LMNA (0.42) | KMT2ASMN1; SMN2TSHRLMNAALDH1A1 | |
| Trifluoroacetamide SCHEMBL142 | 0.80 | — | — | |
| Trifluoroacetic Acid SCHEMBL15355467 | 0.79 | TSHR (0.37) | KDM4EMAPTKMT2AATMCYP2D6 | |
| Azetidine SCHEMBL31268662 | 0.79 | KDM4E (0.41) | KDM4EMAPTKMT2AATMCYP2D6 | |
| Trifluoroacetamide SCHEMBL6982843 | 0.77 | — | — | |
| Trifluoroacetamide SCHEMBL7953427 | 0.77 | — | — | |
| Azetidine SCHEMBL19586846 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113993868-A | Substituted pyrazolopyridinamides and their use as modulators of the GLUN2B receptor | 詹森药业有限公司 | 2022-01-28 | — | — | CN | disclosed |