Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5595476 | 0.87 | CYP1A2 (0.56) | SMN1; SMN2KMT2ANPC1RAB9AALDH1A1 | |
| SCHEMBL28557758 | 0.86 | CYP1A2 (0.51) | KMT2ANPC1RAB9AALDH1A1LMNA | |
| SCHEMBL11280865 | 0.83 | HPGD (0.45) | SMN1; SMN2KMT2ANPC1RAB9AALDH1A1 | |
| SCHEMBL28555839 | 0.82 | SMN1; SMN2 (0.50) | SMN1; SMN2KMT2ANPC1RAB9AALDH1A1 | |
| SCHEMBL5583370 | 0.81 | ALDH1A1 (0.52) | SMN1; SMN2KMT2ANPC1RAB9AALDH1A1 | |
| SCHEMBL7802203 | 0.81 | SMN1; SMN2 (0.49) | SMN1; SMN2KMT2ANPC1RAB9AALDH1A1 | |
| SCHEMBL26670137 | 0.79 | SMN1; SMN2 (0.47) | SMN1; SMN2KMT2ANPC1RAB9AALDH1A1 | |
| SCHEMBL11756610 | 0.77 | KMT2A (0.61) | KMT2AALDH1A1MAPTHTTLMNA | |
| SCHEMBL13871997 | 0.76 | CYP17A1 (0.64) | KMT2AALDH1A1MAPTHTTLMNA | |
| SCHEMBL3689755 | 0.75 | ALDH1A1 (0.49) | SMN1; SMN2KMT2ANPC1RAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112047871-B | Preparation method of indole compound | 南京大学 | 2022-06-21 | — | — | CN | disclosed |
| CN-112047871-A | Preparation method of indole compound | 南京大学 | 2020-12-08 | — | — | CN | disclosed |