Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | SMO | Q99835 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 SCHEMBL27779974 | 0.92 | SMO (0.38) | CYP1A2CYP3A4TSHRTP53CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL27800786 | 0.80 | TAAR1 (0.40) | HSD17B10KDM4EMAPTHPGDNPSR1 | |
| Trifluoroacetic Acid SCHEMBL27779335 | 0.79 | TGFBR1 (0.40) | HTR2AHTR2CHTR2B | |
| Trifluoroacetic Acid SCHEMBL27861538 | 0.77 | GPR6 (0.36) | SMOL3MBTL1HDAC6 | |
| Trifluoroacetic Acid SCHEMBL27779311 | 0.75 | SCN9A (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL27779225 | 0.73 | PKM (0.33) | BACE1HTR2AHTR2C | |
| SCHEMBL27779322 | 0.73 | HTT (0.40) | TSHRHSD17B10KDM4EMAPTHPGD | |
| Trifluoroacetic Acid SCHEMBL27779309 | 0.72 | DPP4 (0.36) | SMOHTR2AHTR2CHTR2B | |
| Trifluoroacetic Acid SCHEMBL27861532 | 0.70 | HRH4 (0.32) | — | |
| SCHEMBL27779351 | 0.70 | KCNH2 (0.34) | — |
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-101641360-A | Piperazine derivatives, preparation method and medical application thereof | SHANGHAI HENGRUI PHARM CO LTD | 2010-02-03 | — | — | CN | disclosed |