Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 3/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.68 |
| ▸ | TSHR | P16473 | 4/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.68 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | HPGD | P15428 | 3/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.68 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | TDP2 | O95551 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | TDO2 | P48775 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3183644 | 1.00 | NR4A2 (1.00) | NR4A2ALDH1A1TSHRCYP1A2CYP2A6 | |
| SCHEMBL1024142 | 0.84 | NR4A2 (0.73) | NR4A2ALDH1A1TSHRCYP1A2CYP2A6 | |
| SCHEMBL31499475 | 0.84 | NR4A2 (0.73) | NR4A2ALDH1A1TSHRCYP1A2CYP2A6 | |
| SCHEMBL2468811 | 0.83 | CYP1A2 (1.00) | NR4A2ALDH1A1TSHRCYP1A2CYP2A6 | |
| SCHEMBL29365003 | 0.83 | ALDH1A1 (1.00) | NR4A2ALDH1A1TSHRCYP3A4HPGD | |
| SCHEMBL29629127 | 0.83 | CYP1A2 (1.00) | NR4A2ALDH1A1TSHRCYP1A2CYP2A6 | |
| SCHEMBL48843 | 0.83 | ALDH1A1 (1.00) | NR4A2ALDH1A1TSHRCYP3A4HPGD | |
| Ammonia Solution, Strong SCHEMBL7197839 | 0.80 | ALDH1A1 (0.93) | NR4A2ALDH1A1TSHRCYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL8641121 | 0.80 | CYP3A4 (0.93) | NR4A2ALDH1A1TSHRCYP3A4HPGD | |
| SCHEMBL335367 | 0.80 | ALDH1A1 (0.93) | NR4A2ALDH1A1TSHRCYP1A2CYP3A4 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4329757-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Amgen Inc. (US) | 2024-03-06 | — | — | EP | disclosed |
| EP-4322954-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | Merck Sharp & Dohme LLC (US) | 2024-02-21 | — | — | EP | disclosed |
| EP-4240489-A1 | KRAS G12D INHIBITORS | Mirati Therapeutics, Inc. (US) | 2023-09-13 | — | — | EP | disclosed |
| EP-4216951-A1 | KRAS G12D INHIBITORS | Mirati Therapeutics, Inc. (US) | 2023-08-02 | — | — | EP | disclosed |
| EP-4192585-A1 | KRAS G12D INHIBITORS | Mirati Therapeutics, Inc. (US) | 2023-06-14 | — | — | EP | disclosed |
| WO-2022232331-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AMGEN INC. (US) | 2022-11-03 | — | — | WO | disclosed |
| WO-2022221739-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-10-20 | — | — | WO | disclosed |
| WO-2022098625-A1 | KRAS G12D INHIBITORS | Mirati Therapeutics, Inc. (US) | 2022-05-12 | — | — | WO | disclosed |
| WO-2022066646-A1 | KRAS G12D INHIBITORS | Mirati Therapeutics, Inc. (US) | 2022-03-31 | — | — | WO | disclosed |
| WO-2022031678-A1 | KRAS G12D INHIBITORS | Mirati Therapeutics, Inc. (US) | 2022-02-10 | — | — | WO | disclosed |