Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | EDNRA | P25101 | 10/20 | 0.43 |
| ▸ | EDNRB | P24530 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22747839 | 0.84 | TSHR (0.43) | NPSR1TSHRKDM4EEDNRAEDNRB | |
| SCHEMBL22747915 | 0.82 | ALDH1A1 (0.40) | TSHRKDM4EEDNRAMAPTLMNA | |
| SCHEMBL22747827 | 0.81 | SMN1; SMN2 (0.42) | TSHRKDM4ELMNARAB9ANPC1 | |
| SCHEMBL22760058 | 0.81 | ALDH1A1 (0.39) | NPSR1KDM4EMAPTLMNARAB9A | |
| SCHEMBL22747903 | 0.81 | RAB9A (0.38) | NPSR1TSHRKDM4EMAPTLMNA | |
| SCHEMBL22760060 | 0.79 | NOTUM (0.40) | KDM4EMAPTLMNARAB9ANPC1 | |
| SCHEMBL22760066 | 0.78 | EDNRA (0.43) | TSHREDNRAEDNRBSMN1; SMN2HPGD | |
| SCHEMBL22760056 | 0.77 | EDNRA (0.41) | TSHRKDM4EEDNRAMAPTLMNA | |
| SCHEMBL22747863 | 0.76 | MAT2A (0.47) | TSHRKDM4EEDNRAMAPTLMNA | |
| SCHEMBL22760046 | 0.74 | REN (0.38) | TSHRKDM4EEDNRAMAPTLMNA |
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 |