Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | RAB9A | P51151 | 7/20 | 0.58 |
| ▸ | NPC1 | O15118 | 7/20 | 0.58 |
| ▸ | TP53 | P04637 | 4/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL19986930 | 0.81 | ALDH1A1 (0.65) | ALDH1A1RAB9ANPC1TP53POLB | |
| SCHEMBL29581481 | 0.78 | RAB9A (0.76) | ALDH1A1RAB9ANPC1TP53POLB | |
| SCHEMBL16587845 | 0.78 | ALDH1A1 (0.75) | ALDH1A1RAB9ANPC1TP53POLB | |
| SCHEMBL18234102 | 0.77 | SIGMAR1 (0.74) | ALDH1A1RAB9ANPC1TP53POLB | |
| SCHEMBL22790807 | 0.77 | ALDH1A1 (0.65) | ALDH1A1RAB9ANPC1TP53POLB | |
| SCHEMBL349502 | 0.77 | ALDH1A1 (0.69) | ALDH1A1RAB9ANPC1TP53POLB | |
| SCHEMBL30486118 | 0.76 | RAB9A (0.70) | ALDH1A1RAB9ANPC1TP53POLB | |
| SCHEMBL8254073 | 0.76 | ALDH1A1 (0.74) | ALDH1A1RAB9ANPC1TP53POLB | |
| SCHEMBL8529470 | 0.74 | ALDH1A1 (1.00) | ALDH1A1RAB9ANPC1TP53POLB | |
| SCHEMBL12717312 | 0.74 | ALDH1A1 (0.71) | ALDH1A1RAB9ANPC1TP53POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-111377907-B | Polysubstituted phenylamino pyrimidine derivative and preparation method and application thereof | 杭州百新生物医药科技有限公司 | 2023-03-28 | — | — | CN | disclosed |
| CN-111377907-A | Polysubstituted phenylamino pyrimidine derivative and preparation method and application thereof | 杭州百新生物医药科技有限公司 | 2020-07-07 | — | — | CN | disclosed |