Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | USP14 | P54578 | 4/20 | 0.39 |
| ▸ | CNR1 | P21554 | 5/20 | 0.38 |
| ▸ | CNR2 | P34972 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22747915 | 0.89 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2HPGDMAPTLMNA | |
| SCHEMBL22760060 | 0.88 | NOTUM (0.40) | ALDH1A1SMN1; SMN2HPGDMAPTTP53 | |
| SCHEMBL22747827 | 0.84 | SMN1; SMN2 (0.42) | ALDH1A1SMN1; SMN2HPGDTP53LMNA | |
| SCHEMBL22747903 | 0.83 | RAB9A (0.38) | ALDH1A1SMN1; SMN2HPGDMAPTTP53 | |
| SCHEMBL22760056 | 0.81 | EDNRA (0.41) | ALDH1A1USP14SMN1; SMN2HPGDMAPT | |
| SCHEMBL22760103 | 0.81 | NPSR1 (0.45) | ALDH1A1SMN1; SMN2HPGDMAPTLMNA | |
| SCHEMBL22760046 | 0.81 | REN (0.38) | ALDH1A1HPGDMAPTTP53LMNA | |
| SCHEMBL22748447 | 0.81 | USP14 (0.39) | ALDH1A1USP14CNR1CNR2SMN1; SMN2 | |
| SCHEMBL22760357 | 0.81 | REN (0.38) | ALDH1A1HPGDMAPTTP53LMNA | |
| SCHEMBL22760133 | 0.80 | MAPK8 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020244462-A1 | INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF | 中国药科大学 | 2020-12-10 | — | — | WO | disclosed |
| CN-112028815-A | Indole derivatives and medical application thereof | 中国药科大学 | 2020-12-04 | — | — | CN | disclosed |