Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL19859335 | 1.00 | ALDH1A1 (0.50) | ALDH1A1MAPTKMT2ACYP1A2CYP3A4 | |
| SCHEMBL19865518 | 0.88 | ALDH1A1 (0.42) | ALDH1A1MAPTKMT2ACYP1A2CYP3A4 | |
| SCHEMBL19865485 | 0.82 | ALDH1A1 (0.69) | ALDH1A1MAPTKMT2ACYP1A2CYP3A4 | |
| SCHEMBL7243963 | 0.81 | ALDH1A1 (0.71) | ALDH1A1MAPTKMT2ACYP1A2CYP3A4 | |
| SCHEMBL30875171 | 0.81 | ALDH1A1 (0.71) | ALDH1A1MAPTKMT2ACYP1A2CYP3A4 | |
| SCHEMBL7252383 | 0.72 | ALDH1A1 (0.67) | ALDH1A1MAPTKMT2ACYP1A2CYP3A4 | |
| SCHEMBL7248693 | 0.71 | ALDH1A1 (0.55) | ALDH1A1MAPTKMT2AMEN1KDM4E | |
| SCHEMBL6919316 | 0.70 | ALDH1A1 (0.53) | ALDH1A1MAPTKMT2ACYP1A2CYP3A4 | |
| SCHEMBL14576116 | 0.69 | LMNA (0.50) | ALDH1A1MAPTKMT2ACYP1A2CYP3A4 | |
| SCHEMBL2919624 | 0.69 | ALDH1A1 (0.50) | ALDH1A1MAPTKMT2ACYP1A2CYP3A4 |
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-109689111-B | Pyrrolobenzodiazepine prodrugs and antibody conjugates thereof | 基因泰克公司 | 2024-04-05 | — | — | CN | disclosed |