Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.39 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.39 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18863556 | 0.83 | ALDH1A1 (0.43) | ALDH1A1TDP1GPR35TSHRCYP3A4 | |
| SCHEMBL9175349 | 0.77 | TDP1 (0.50) | ALDH1A1TDP1GPR35TSHRCYP3A4 | |
| SCHEMBL1999849 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TDP1GPR35TSHRCYP3A4 | |
| SCHEMBL30627320 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TDP1GPR35TSHRCYP3A4 | |
| SCHEMBL1995565 | 0.75 | TDP1 (0.47) | ALDH1A1TDP1GPR35TSHRCYP3A4 | |
| SCHEMBL29805067 | 0.75 | TDP1 (0.47) | ALDH1A1TDP1GPR35TSHRCYP3A4 | |
| SCHEMBL1459395 | 0.75 | TSHR (0.53) | ALDH1A1TDP1GPR35TSHRCYP3A4 | |
| SCHEMBL27783994 | 0.75 | HPGD (0.47) | ALDH1A1TDP1GPR35TSHRHPGD | |
| SCHEMBL6515 | 0.75 | TDP1 (0.47) | ALDH1A1TDP1GPR35TSHRCYP3A4 | |
| SCHEMBL18863554 | 0.74 | TSHR (0.58) | ALDH1A1TDP1GPR35TSHRSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9822061-B2 | Method for producing nitro compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-11-21 | — | — | US | disclosed |
| US-20170144961-A1 | METHOD FOR PRODUCING NITRO COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-05-25 | — | — | US | disclosed |
| CN-106164041-A | The manufacture method of nitro compound | 住友化学株式会社 | 2016-11-23 | — | — | CN | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170144961-A1 | METHOD FOR PRODUCING NITRO COMPOUND | NOS2, CYP11B2, NOS1 | ALDH1A1 345/4885TDP1 3812/4885GPR35 2448/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.