Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.46 |
| ▸ | TAS1R3 | Q7RTX0 | 4/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.44 |
| ▸ | TAS1R2 | Q8TE23 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16610115 | 0.78 | NPC1 (0.51) | ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16610119 | 0.77 | ALDH1A1 (0.57) | ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21362309 | 0.75 | ALDH1A1 (0.54) | ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22755000 | 0.75 | NPC1 (0.48) | ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22754845 | 0.75 | NPC1 (0.50) | ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22754927 | 0.75 | KMT2A (0.47) | ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22755113 | 0.73 | ADORA2A (0.48) | ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13927784 | 0.70 | TAS1R3 (0.80) | ALDH1A1NPC1RAB9ASMN1; SMN2TAS1R3 | |
| SCHEMBL17205222 | 0.69 | TAS1R3 (0.58) | ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17206332 | 0.69 | TAS1R3 (0.58) | ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015044072-A1 | INDOL AND INDAZOL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-04-02 | — | — | WO | disclosed |