Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL17173125 | 1.00 | L3MBTL1 (0.42) | L3MBTL1TSHRALDH1A1POLBHTT | |
| SCHEMBL17173123 | 1.00 | L3MBTL1 (0.42) | L3MBTL1TSHRALDH1A1POLBHTT | |
| SCHEMBL17173054 | 0.84 | PIK3R1 (0.38) | L3MBTL1TSHRALDH1A1POLBHTT | |
| SCHEMBL17173176 | 0.83 | CYP2C9 (0.50) | TSHRALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL17173175 | 0.83 | CYP2C9 (0.50) | TSHRALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL17173132 | 0.82 | ACACB (0.32) | ALDH1A1CYP1A2CYP2C9NOS3NOS1 | |
| SCHEMBL17173127 | 0.81 | ACACB (0.38) | TSHRALDH1A1SMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL17173126 | 0.81 | ACACB (0.38) | TSHRALDH1A1SMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL17173055 | 0.81 | MMP8 (0.33) | L3MBTL1MAPT | |
| SCHEMBL17177194 | 0.80 | TSHR (0.48) | L3MBTL1TSHRALDH1A1POLBHTT |
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-2022140169-A1 | PREPARATION OF TETRAHYDROINDAZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2022-06-30 | — | — | WO | disclosed |