Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR4 | O95977 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2144346 | 1.00 | S1PR4 (0.52) | S1PR4HTTALDH1A1HIF1ACYP19A1 | |
| SCHEMBL30672731 | 0.88 | S1PR4 (0.66) | S1PR4HTTALDH1A1HIF1ACYP19A1 | |
| SCHEMBL3441990 | 0.88 | S1PR4 (0.66) | S1PR4HTTALDH1A1HIF1ACYP19A1 | |
| SCHEMBL16848696 | 0.86 | CYP19A1 (0.61) | S1PR4HTTALDH1A1HIF1ACYP19A1 | |
| SCHEMBL20335461 | 0.86 | HTT (0.49) | S1PR4HTTALDH1A1HIF1ACYP19A1 | |
| SCHEMBL2002273 | 0.86 | MAPT (0.55) | S1PR4HTTALDH1A1CYP19A1TDP1 | |
| SCHEMBL12518698 | 0.84 | S1PR4 (0.62) | S1PR4ALDH1A1TDP1MAPTSMN1; SMN2 | |
| SCHEMBL21644480 | 0.83 | TSHR (0.62) | S1PR4HTTALDH1A1HIF1ACYP19A1 | |
| SCHEMBL8926446 | 0.83 | ALDH1A1 (0.49) | S1PR4HTTALDH1A1HIF1ACYP19A1 | |
| SCHEMBL30729439 | 0.83 | HTT (0.66) | S1PR4HTTALDH1A1CYP19A1TDP1 |
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-110467637-B | Bisaminyl chloropyrimidine compound containing phosphine oxide substituted aniline, preparation method and application thereof | 北京赛特明强医药科技有限公司 | 2022-02-18 | — | — | CN | disclosed |