Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | BMP1 | P13497 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.35 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.34 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.34 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6653987 | 0.99 | ALDH1A1 (0.47) | ALDH1A1TDP1TSHRHPGDPOLB | |
| SCHEMBL6653342 | 0.96 | TDP1 (0.50) | ALDH1A1TDP1TSHRHPGDPOLB | |
| SCHEMBL6658253 | 0.90 | ALDH1A1 (0.53) | ALDH1A1TDP1TSHRHPGDPOLB | |
| SCHEMBL8838485 | 0.86 | ALDH1A1 (0.49) | ALDH1A1TDP1TSHRHPGDPOLB | |
| SCHEMBL6653894 | 0.84 | ALDH1A1 (0.56) | ALDH1A1TDP1TSHRHPGDPOLB | |
| SCHEMBL8838776 | 0.82 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRHPGDPOLB | |
| SCHEMBL13344110 | 0.80 | TDP1 (0.69) | ALDH1A1TDP1TSHRHPGDPOLB | |
| SCHEMBL10707635 | 0.80 | ALDH1A1 (0.47) | ALDH1A1TDP1TSHRHPGDPOLB | |
| SCHEMBL27515202 | 0.79 | ALDH1A1 (0.58) | ALDH1A1TDP1TSHRHPGDPOLB | |
| SCHEMBL6655757 | 0.77 | ALDH1A1 (0.60) | ALDH1A1TDP1TSHRHPGDPOLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-1578760-A | Process for producing(2-nitrophenyl)acetonitrile derivative and intermediate therefor | IHARA CHEMICAL IND CO (JP) | 2005-02-09 | — | — | CN | disclosed |
| US-20040199002-A1 | Process for producing(2-nitrophenyl)acetonitrile derivative and intermediate therefor | INDUSTRY CO., LTD. (JP) | 2004-10-07 | — | — | US | disclosed |
| EP-1431278-A1 | PROCESS FOR PRODUCING (2-NITROPHENYL)ACETONITRILE DERIVATIVE AND INTERMEDIATE THEREFOR | IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) | 2004-06-23 | — | — | EP | 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-20040199002-A1 | Process for producing(2-nitrophenyl)acetonitrile derivative and intermediate therefor | DOHH, NCEH1, NOTUM | ALDH1A1 371/4885TDP1 1818/4885TSHR 4200/4885 |
“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.