Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 2/20 | 0.49 |
| ▸ | TPMT | P51580 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Benzamide SCHEMBL28002190 | 0.87 | THRB (0.57) | CYP1A2CYP3A4THRBPARP1MEN1 | |
| SCHEMBL93283 | 0.85 | NPSR1 (0.55) | CYP1A2CYP3A4THRBTPMTNPSR1 | |
| SCHEMBL501850 | 0.83 | PARP1 (0.60) | CYP3A4TPMTPARP1KMT2AHTT | |
| SCHEMBL25159989 | 0.80 | KMT2A (0.45) | CYP1A2CYP3A4THRBPARP1MEN1 | |
| SCHEMBL25159993 | 0.80 | CSF1R (0.56) | CYP1A2NPSR1MEN1KMT2AMAPT | |
| SCHEMBL12865158 | 0.79 | PARP1 (0.60) | CYP3A4TPMTPARP1HTTMAPT | |
| SCHEMBL5523767 | 0.77 | CYP1A2 (0.58) | CYP1A2CYP3A4THRBNPSR1MEN1 | |
| SCHEMBL28002199 | 0.77 | NPSR1 (0.56) | CYP1A2CYP3A4THRBNPSR1MEN1 | |
| Butyramide SCHEMBL28001896 | 0.77 | CYP1A2 (0.50) | CYP1A2CYP3A4THRBNPSR1MEN1 | |
| SCHEMBL28643402 | 0.76 | KDM4E (0.56) | MEN1KMT2AHTTMAPTKDM4E |
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-105622973-A | Preparation and chiral identification of stationary phase of benzoylation derivative of chitosan | CHEN YUMEI | 2016-06-01 | — | — | CN | disclosed |