Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.58 |
| ▸ | RAB9A | P51151 | 5/20 | 0.58 |
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.56 |
| ▸ | RELA | Q04206 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL28518019 | 0.89 | PPARG (0.62) | SMN1; SMN2RAB9ANPC1MAPTCYP1A2 | |
| SCHEMBL28522378 | 0.86 | PPARG (0.56) | SMN1; SMN2RAB9ANPC1MAPTCYP1A2 | |
| SCHEMBL445955 | 0.85 | ALDH1A1 (0.65) | SMN1; SMN2RAB9ANPC1MAPTCYP1A2 | |
| SCHEMBL34462345 | 0.81 | NPSR1 (0.65) | SMN1; SMN2RAB9ANPC1MAPTCYP1A2 | |
| SCHEMBL11164512 | 0.78 | NPSR1 (0.67) | SMN1; SMN2RAB9ANPC1MAPTCYP1A2 | |
| SCHEMBL28511046 | 0.77 | SMN1; SMN2 (0.70) | SMN1; SMN2RAB9ANPC1MAPTCYP1A2 | |
| SCHEMBL28520505 | 0.76 | SMN1; SMN2 (0.68) | SMN1; SMN2RAB9ANPC1MAPTCYP1A2 | |
| SCHEMBL9653137 | 0.76 | AGTR1 (0.58) | SMN1; SMN2RAB9ANPC1MAPTCYP1A2 | |
| SCHEMBL14913891 | 0.76 | ALDH1A1 (0.61) | SMN1; SMN2RAB9AMAPTNPSR1NFKB1 | |
| SCHEMBL12929645 | 0.75 | NPSR1 (0.60) | SMN1; SMN2RAB9AMAPTCYP1A2CYP2C9 |
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-106279044-B | Pyrimidine hydroxamic acid derivative and preparation method and application thereof | 厦门市博瑞来医药科技有限公司 | 2021-02-19 | — | — | CN | disclosed |