Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.38 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27576344 | 0.86 | NQO2 (0.46) | ALDH1A1PKMHTTNPSR1LMNA | |
| SCHEMBL27907022 | 0.84 | CYP3A4 (0.48) | ALDH1A1LMNASMN1; SMN2HPGDTDP1 | |
| SCHEMBL28254477 | 0.84 | CYP1A2 (0.41) | CES2CES1NPC1RAB9A | |
| SCHEMBL29184057 | 0.84 | CYP1A2 (0.41) | CES2CES1NPC1RAB9A | |
| SCHEMBL27786749 | 0.84 | CYP3A4 (0.48) | ALDH1A1LMNASMN1; SMN2HPGDTDP1 | |
| SCHEMBL28198796 | 0.84 | ALDH1A1 (0.41) | ALDH1A1KMT2ATDP1 | |
| SCHEMBL27275148 | 0.84 | ALDH1A1 (0.41) | ALDH1A1KMT2ATDP1 | |
| SCHEMBL27765306 | 0.81 | HTT (0.41) | HTTLMNASMN1; SMN2HPGDTDP1 | |
| SCHEMBL27351179 | 0.81 | HTT (0.41) | HTTLMNASMN1; SMN2HPGDTDP1 | |
| SCHEMBL11870822 | 0.76 | SRD5A2 (0.40) | ALDH1A1PKMHTTATMNPSR1 |
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-101602757-A | 4-substituent-2-amido pyrimidine compound and preparation method thereof | DANDONG HENGYUE NEW MATERIAL C (CN) | 2009-12-16 | — | — | CN | disclosed |