Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 4/20 | 0.45 |
| ▸ | CNR2 | P34972 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CDC25A | P30304 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.41 |
| ▸ | ICMT | O60725 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | REN | P00797 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 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 | |
|---|---|---|---|---|
| SCHEMBL28097074 | 0.88 | CNR1 (0.48) | CNR1CNR2GAADHFRPOLB | |
| SCHEMBL13228230 | 0.80 | NR4A2 (0.61) | CNR1CNR2GAAPOLBCDC25A | |
| SCHEMBL28097123 | 0.80 | NR4A2 (0.65) | CNR1CNR2GAAPOLBMAPT | |
| SCHEMBL15747713 | 0.78 | CDC25A (0.59) | CNR1CNR2GAACDC25AMAPT | |
| SCHEMBL28836620 | 0.78 | CDC25A (0.52) | CNR1CNR2GAAPOLBCDC25A | |
| SCHEMBL8690315 | 0.78 | S1PR2 (0.58) | GAAPOLBCDC25AMAPTALDH1A1 | |
| SCHEMBL28836439 | 0.77 | CDC25A (0.51) | CNR1CNR2GAAPOLBCDC25A | |
| SCHEMBL15747750 | 0.76 | CDC25A (0.67) | CNR1CNR2CDC25AALDH1A1ICMT | |
| SCHEMBL14352972 | 0.76 | CREBBP (0.57) | CNR1CNR2POLBALDH1A1 | |
| SCHEMBL21535335 | 0.75 | CDC25A (0.73) | CNR1CNR2CDC25AICMT |
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-105884675-A | N-substituted indole carboxylic acid derivative and its preparation method and medical use | 中国药科大学 | 2016-08-24 | — | — | CN | disclosed |