Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.59 |
| ▸ | NPC1 | O15118 | 7/20 | 0.59 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.54 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.54 |
| ▸ | TAS1R2 | Q8TE23 | 3/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.49 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.49 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.49 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30593247 | 1.00 | RAB9A (0.59) | RAB9ANPC1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL30593283 | 0.92 | RAB9A (0.60) | RAB9ANPC1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL25404536 | 0.92 | RAB9A (0.60) | RAB9ANPC1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL31070620 | 0.92 | TAS1R3 (0.63) | RAB9ANPC1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL25405802 | 0.91 | RAB9A (0.49) | RAB9ANPC1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL25404608 | 0.89 | NPC1 (0.53) | RAB9ANPC1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL31083819 | 0.89 | RAB9A (0.47) | RAB9ANPC1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL25405012 | 0.89 | RAB9A (0.47) | RAB9ANPC1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL25405249 | 0.88 | RAB9A (0.63) | RAB9ANPC1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL30593284 | 0.88 | RAB9A (0.63) | RAB9ANPC1TAS1R3TAS1R1TAS1R2 |
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-116789641-A | Dihydro isoquinoline compound and medical application thereof | 中国科学院上海药物研究所 | 2023-09-22 | — | — | CN | disclosed |
| WO-2023174383-A1 | DIHYDROISOQUINOLINE COMPOUND AND MEDICAL USE THEREOF | 中国科学院上海药物研究所 | 2023-09-21 | — | — | WO | disclosed |