Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 5/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | QSOX1 | O00391 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | EDNRB | P24530 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | JMJD7 | P0C870 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | NR4A3 | Q92570 | 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 | |
|---|---|---|---|---|
| SCHEMBL22748196 | 0.91 | EDNRA (0.42) | EDNRATHRBNOTUMLMNAALDH1A1 | |
| SCHEMBL22747824 | 0.90 | EDNRA (0.40) | EDNRATHRBNOTUMHPGDLMNA | |
| SCHEMBL22760100 | 0.90 | SMN1; SMN2 (0.40) | EDNRANOTUMHPGDRAB9AALDH1A1 | |
| SCHEMBL22760112 | 0.88 | NOTUM (0.37) | EDNRANOTUMHPGDLMNANPC1 | |
| SCHEMBL22760232 | 0.88 | HPGD (0.44) | THRBHPGDLMNAALDH1A1MAPT | |
| SCHEMBL22760499 | 0.88 | NOTUM (0.37) | EDNRANOTUMHPGDLMNANPC1 | |
| SCHEMBL22760063 | 0.87 | EDNRA (0.39) | EDNRAHPGDLMNANPC1ALDH1A1 | |
| SCHEMBL22747830 | 0.87 | EDNRA (0.39) | EDNRAHPGDLMNANPC1ALDH1A1 | |
| SCHEMBL22760500 | 0.86 | HPGD (0.35) | EDNRAHPGDRAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL22748355 | 0.86 | EDNRA (0.40) | EDNRAHPGDLMNANPC1RAB9A |
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 3 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 |
| 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 |