Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.96 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.62 |
| ▸ | GLA | P06280 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | DHODH | Q02127 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL33663 | 0.98 | TSHR (1.00) | TSHRTDP1GLAKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL6407719 | 0.96 | TSHR (0.96) | TSHRTDP1GLAKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL5787034 | 0.96 | TSHR (0.96) | TSHRTDP1GLAKMT2AMEN1 | |
| Benzoic Acid SCHEMBL6693657 | 0.90 | TSHR (0.84) | TSHRTDP1GLAKMT2AMEN1 | |
| Phthalic Acid SCHEMBL8740470 | 0.89 | TSHR (0.83) | TSHRTDP1GLAKMT2AMEN1 | |
| SCHEMBL28224261 | 0.88 | TSHR (0.79) | TSHRTDP1GLAKMT2AMEN1 | |
| SCHEMBL2932050 | 0.84 | TSHR (0.74) | TSHRTDP1GLAKMT2AMEN1 | |
| SCHEMBL30041946 | 0.84 | TSHR (0.74) | TSHRTDP1GLAKMT2AMEN1 | |
| Ammonia Solution, Strong SCHEMBL28332950 | 0.84 | TSHR (0.69) | TSHRTDP1GLAKMT2AMEN1 | |
| SCHEMBL2885196 | 0.83 | TSHR (0.73) | TSHRTDP1GLAKMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000219656-A | ISOLATION AND PURIFICATION OF 3-NITRO-ORTHO-TOLUIC ACID | SAN CHEM KK | 2000-08-08 | — | — | JP | disclosed |