Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CASP1 | P29466 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9803778 | 0.86 | ALDH1A1 (0.60) | MAPTMEN1KMT2AALDH1A1HTT | |
| SCHEMBL28325187 | 0.84 | CYP3A4 (0.51) | MAPTMEN1KMT2AALDH1A1HTT | |
| SCHEMBL16333083 | 0.82 | ALDH1A1 (0.50) | MAPTMEN1KMT2AALDH1A1HTT | |
| SCHEMBL733998 | 0.81 | EPHX1 (0.55) | FFAR1MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL2296216 | 0.79 | FFAR1 (0.60) | FFAR1MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL3037330 | 0.78 | ALDH1A1 (0.50) | MAPTKMT2AALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL7820017 | 0.77 | CYP3A4 (0.65) | MAPTMEN1KMT2AALDH1A1HTT | |
| SCHEMBL9525199 | 0.77 | MAPT (0.53) | MAPTMEN1KMT2AALDH1A1HTT | |
| SCHEMBL296409 | 0.77 | LMNA (0.59) | MAPTMEN1KMT2AHTTSMN1; SMN2 | |
| SCHEMBL735192 | 0.77 | L3MBTL1 (0.47) | MAPTMEN1KMT2AALDH1A1HTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106518808-B | 3- (N, N-disubstituted amino) propionamide derivatives, preparation method and medical application thereof | 沈阳药科大学 | 2020-05-01 | — | — | CN | disclosed |
| CN-106518808-A | 3-(N, N-disubstituted amino) propanamide derivative and preparation method and use thereof in medicine | 沈阳药科大学 | 2017-03-22 | — | — | CN | disclosed |
| EP-2321285-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010012619-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-02-04 | — | — | WO | disclosed |