Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | COMT | P21964 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | F12 | P00748 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL5422878 | 0.82 | CYP2A6 (0.48) | KMT2AMEN1CYP2A6RAB9ANPC1 | |
| SCHEMBL8352988 | 0.80 | MAPT (0.39) | PTGS2KMT2AMEN1POLBCYP2A6 | |
| SCHEMBL8358056 | 0.80 | COMT (0.40) | PTGS2KMT2AHSD17B10CYP2A6HPGD | |
| SCHEMBL29277538 | 0.80 | HTR1A (0.52) | KMT2AMEN1POLBCYP2A6PKM | |
| SCHEMBL29277541 | 0.80 | KMT2A (0.55) | KMT2AMEN1HSD17B10CYP2A6HPGD | |
| SCHEMBL24909758 | 0.80 | COMT (0.46) | KMT2AMEN1HSD17B10POLBCYP2A6 | |
| SCHEMBL29277545 | 0.80 | HTT (0.47) | PTGS2KMT2AMEN1HSD17B10POLB | |
| SCHEMBL8358300 | 0.79 | MAPT (0.38) | PTGS2KMT2AMEN1POLBRAB9A | |
| SCHEMBL29277533 | 0.78 | CYP2A6 (0.55) | KMT2AHSD17B10CYP2A6RAB9ANPC1 | |
| SCHEMBL29277548 | 0.70 | CYP2A6 (0.47) | KMT2AMEN1POLBCYP2A6PKM |
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 |
|---|---|---|---|---|---|---|---|
| US-5959107-A | Isoquinoline derivatives | SNOW BRAND MILK PRODUCTS CO., LTD. (JP) | 1999-09-28 | — | — | US | disclosed |