Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CTSG | P08311 | 2/20 | 0.42 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4577809 | 0.82 | CA2 (0.41) | KMT2AESR1ESR2MEN1HTT | |
| SCHEMBL28525562 | 0.82 | TSHR (0.45) | TSHRKMT2AHPGDCYP3A4CYP2C9 | |
| SCHEMBL29483741 | 0.80 | TSHR (0.49) | TSHRTP53KMT2ATDP1CYP2D6 | |
| SCHEMBL8463735 | 0.80 | ALDH1A1 (0.64) | TSHRTP53KMT2ATDP1SLC6A2 | |
| SCHEMBL27858938 | 0.79 | SMN1; SMN2 (0.40) | TSHRKMT2AHPGDCYP3A4CYP2C9 | |
| SCHEMBL28957581 | 0.78 | ALDH1A1 (0.48) | TSHRTP53KMT2ACTSGCTRB1 | |
| SCHEMBL7258659 | 0.78 | ALDH1A1 (0.42) | TSHRKMT2AHPGDCTSGCTRB1 | |
| SCHEMBL31351854 | 0.78 | LPAR1 (0.47) | KMT2ATDP1 | |
| SCHEMBL6284483 | 0.77 | MDM2 (0.41) | TSHRTP53KMT2ATDP1SLC6A2 | |
| SCHEMBL5561236 | 0.77 | MMP13 (0.39) | TDP1HPGDSMN1; SMN2MMP13ALDH1A1 |
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-2020027150-A1 | BENZENE DERIVATIVE | 小野薬品工業株式会社 | 2020-02-06 | — | — | WO | disclosed |