Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 6/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | FABP2 | P12104 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | ESRRG | P62508 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | ESRRB | O95718 | 1/20 | 0.40 |
| ▸ | FPR3 | P25089 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16380444 | 0.87 | TMEM97 (0.53) | ALDH1A1TMEM97SIGMAR1SMN1; SMN2HPGD | |
| SCHEMBL14679115 | 0.86 | NPC1 (0.51) | ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL1408696 | 0.85 | ALDH1A1 (0.57) | ALDH1A1TMEM97SIGMAR1HPGDHDAC3 | |
| SCHEMBL2749396 | 0.84 | MCHR1 (0.52) | ALDH1A1TMEM97SIGMAR1SMN1; SMN2HPGD | |
| SCHEMBL3111428 | 0.82 | FPR3 (0.44) | ALDH1A1TMEM97SIGMAR1SMN1; SMN2HPGD | |
| SCHEMBL7891123 | 0.80 | DGAT1 (0.47) | ALDH1A1SMN1; SMN2HDAC1HDAC2KMT2A | |
| SCHEMBL14679116 | 0.80 | L3MBTL1 (0.53) | ALDH1A1TMEM97SIGMAR1SMN1; SMN2HPGD | |
| SCHEMBL22777273 | 0.80 | ESRRG (0.42) | ALDH1A1SMN1; SMN2PPARAESRRG | |
| SCHEMBL10076552 | 0.80 | CA12 (0.42) | ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL1687186 | 0.79 | KMT2A (0.41) | ALDH1A1TMEM97SIGMAR1SMN1; SMN2HPGD |
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-113797354-B | Pyrrolopyrimidine derivatives or conjugates thereof, preparation method and application thereof | 江苏恒瑞医药股份有限公司 | 2024-08-13 | — | — | CN | disclosed |