Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 3/20 | 0.64 |
| ▸ | CES1 | P23141 | 1/20 | 0.64 |
| ▸ | NR1H3 | Q13133 | 8/20 | 0.54 |
| ▸ | NR1H2 | P55055 | 6/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MTOR | P42345 | 1/20 | 0.50 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL6000324 | 1.00 | TTR (0.64) | TTRCES1NR1H3NR1H2EPHX2 | |
| SCHEMBL13310851 | 0.88 | CES1 (0.71) | TTRCES1NR1H3NR1H2EPHX2 | |
| SCHEMBL16127516 | 0.82 | TTR (0.75) | TTRCES1NR1H3NR1H2EPHX2 | |
| SCHEMBL5175484 | 0.82 | TTR (0.50) | TTRCES1NR1H3NR1H2RAB9A | |
| SCHEMBL13039623 | 0.78 | TTR (0.69) | TTRCES1EPHX2RAB9ATRPA1 | |
| SCHEMBL30077375 | 0.78 | TTR (0.69) | TTRCES1EPHX2RAB9ATRPA1 | |
| SCHEMBL28252336 | 0.78 | CES1 (1.00) | TTRCES1EPHX2RAB9ATRPA1 | |
| SCHEMBL12059596 | 0.78 | TTR (0.69) | TTRCES1NR1H3NR1H2EPHX2 | |
| SCHEMBL126628 | 0.78 | CES1 (1.00) | TTRCES1EPHX2RAB9ATRPA1 | |
| SCHEMBL2521380 | 0.77 | CES1 (0.88) | TTRCES1EPHX2RAB9ATRPA1 |
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-118440081-A | Four-ring condensed skeleton compound containing indoline unit and synthesis method thereof | 西南交通大学 | 2024-08-06 | — | — | CN | claimed |
| CN-118440081-A | Four-ring condensed skeleton compound containing indoline unit and synthesis method thereof | 西南交通大学 | 2024-08-06 | — | — | CN | disclosed |