Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | MPO | P05164 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18639224 | 0.84 | CHRM2 (0.56) | HDAC3HDAC1HDAC2HDAC8ALDH1A1 | |
| SCHEMBL5940017 | 0.84 | HTT (0.62) | HDAC3HDAC1HDAC2HDAC8ALDH1A1 | |
| SCHEMBL5738287 | 0.81 | MEN1 (0.59) | HDAC3HDAC1HDAC2HDAC8ALDH1A1 | |
| SCHEMBL18198069 | 0.81 | KDM4E (0.55) | HDAC3HDAC1HDAC2HDAC8ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3026173 | 0.80 | MEN1 (0.57) | HDAC3HDAC1HDAC2HDAC8ALDH1A1 | |
| SCHEMBL13472595 | 0.79 | S1PR1 (0.42) | HDAC3HDAC1HDAC2HDAC8ALDH1A1 | |
| SCHEMBL3735417 | 0.79 | CA12 (0.51) | HDAC3HDAC1HDAC2HDAC8ALDH1A1 | |
| SCHEMBL27645064 | 0.78 | ALDH1A1 (0.51) | HDAC3HDAC1HDAC2HDAC8ALDH1A1 | |
| SCHEMBL417587 | 0.77 | HDAC3 (0.63) | HDAC3HDAC1HDAC2HDAC8ALDH1A1 | |
| SCHEMBL18639195 | 0.77 | CHRM2 (0.62) | HDAC3HDAC1HDAC2HDAC8ALDH1A1 |
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-2017041665-A1 | 3-(N,N-DISUBSTITUTED AMINO GROUP) PROPANAMIDE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN MEDICINE | 沈阳药科大学 | 2017-03-16 | — | — | WO | disclosed |
| US-4154761-A | B2-ADRENORECEPTOR STIMULANTS, A-/ARYLAMINO-ALKYLAMINOETHYL/-4-HYDROXY-1,3-BENZENE-DIMETHANOL | ALLEN & HANBURYS LIMITED (GB) | 1979-05-15 | — | — | US | disclosed |