Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 2/20 | 0.44 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8437177 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CES2ACHECES1 | |
| SCHEMBL17168466 | 0.85 | MEN1 (0.48) | ALDH1A1CYP1A2CES2ACHECES1 | |
| SCHEMBL11767203 | 0.85 | NPC1 (0.41) | ALDH1A1CYP1A2NPC1MEN1KMT2A | |
| SCHEMBL2479589 | 0.83 | CYP1A2 (0.58) | ALDH1A1CYP1A2NPC1MEN1KMT2A | |
| SCHEMBL2479591 | 0.83 | CYP1A2 (0.58) | ALDH1A1CYP1A2NPC1MEN1KMT2A | |
| SCHEMBL16096137 | 0.82 | ACHE (0.53) | ALDH1A1CYP1A2CES2ACHECES1 | |
| SCHEMBL16096138 | 0.82 | ACHE (0.53) | ALDH1A1CYP1A2CES2ACHECES1 | |
| SCHEMBL2481529 | 0.80 | NR1H2 (0.38) | ALDH1A1CES2ACHECES1NPC1 | |
| SCHEMBL2481532 | 0.80 | NR1H2 (0.38) | ALDH1A1CES2ACHECES1NPC1 | |
| SCHEMBL2481531 | 0.80 | NR1H2 (0.38) | ALDH1A1CES2ACHECES1NPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110467616-B | Preparation and application of triazolopyrazine compound containing heteroaryl substituted pyridazinone structure | 江西科技师范大学 | 2021-12-21 | — | — | CN | disclosed |
| US-5955615-A | COUPLERS | BAYER AKTIENGESELLSCHAFT (DE) | 1999-09-21 | — | — | US | disclosed |
| US-5808015-A | RED FIBER REACTIVE, ACID DYES FOR CELLULOSE FIBERS, COTTON, WOOL, SILK, POLYAMIDES, POLYESTERS, POLYOLEFINS AND POLYACRYLONITRILE; COLORFASTNESS; BRIGHTNESS; TRIAZINE DYES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-09-15 | — | — | US | disclosed |
| US-4061650-A | 5-Trihalogenomethyl-4,5-dihyro-oxazole-4-carboxylic acid esters | TANABE SEIYAKU CO., LTD. (JA) | 1977-12-06 | — | — | US | disclosed |