Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL20267337 | 0.85 | ALDH1A1 (0.54) | ALDH1A1NPC1RAB9ATSHRGAA | |
| SCHEMBL30530510 | 0.75 | MEN1 (0.44) | ALDH1A1TSHRGAAKMT2ATP53 | |
| SCHEMBL15224120 | 0.74 | ALDH1A1 (0.40) | ALDH1A1NPC1RAB9ATSHRGAA | |
| SCHEMBL15775030 | 0.73 | HPGD (0.46) | ALDH1A1TSHRGAAKMT2AMEN1 | |
| SCHEMBL5707619 | 0.73 | CA1 (0.53) | CES1ALDH1A1TTRALDH3A1CA1 | |
| SCHEMBL5707544 | 0.71 | CA1 (0.55) | CES1ALDH1A1TTRALDH3A1CA1 | |
| SCHEMBL29010701 | 0.71 | CES1 (0.55) | CES1ALDH1A1TTRALDH3A1BCHE | |
| SCHEMBL28068349 | 0.71 | KMT2A (0.51) | ALDH1A1RAB9AGAANPSR1KMT2A | |
| SCHEMBL28230697 | 0.70 | KMT2A (0.38) | ALDH1A1NPC1RAB9ATSHRGAA | |
| SCHEMBL10100516 | 0.70 | SMN1; SMN2 (0.45) | CES1ALDH1A1NPC1RAB9ANPSR1 |
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-113024525-B | Indole and quinazolone alkaloid and medical application thereof | 沈阳药科大学 | 2022-03-29 | — | — | CN | disclosed |