Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Nitrobenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | ACP3 | P15309 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Nitrobenzene SCHEMBL28658933 | 0.92 | ALDH1A1 (0.76) | ALDH1A1LMNAACP3CES2CES1 | |
| Nitrobenzene SCHEMBL5277749 | 0.92 | ALDH1A1 (0.76) | ALDH1A1LMNAACP3CES2CES1 | |
| Nitrobenzene SCHEMBL27570956 | 0.92 | ALDH1A1 (0.76) | ALDH1A1LMNAACP3CES2CES1 | |
| Nitrobenzene SCHEMBL13277687 | 0.92 | ALDH1A1 (0.76) | ALDH1A1LMNAACP3CES2CES1 | |
| Nitrobenzene SCHEMBL28731494 | 0.90 | ALDH1A1 (0.73) | ALDH1A1LMNAACP3CES2CES1 | |
| Nitrobenzene SCHEMBL3437529 | 0.84 | ALDH1A1 (0.64) | ALDH1A1LMNAACP3CES2CES1 | |
| Nitrobenzene SCHEMBL28267370 | 0.83 | ALDH1A1 (0.70) | ALDH1A1LMNAACP3CES2CES1 | |
| Nitrobenzene SCHEMBL10777905 | 0.83 | ALDH1A1 (0.70) | ALDH1A1LMNAACP3CES2CES1 | |
| Nitrobenzene SCHEMBL2349619 | 0.83 | ALDH1A1 (0.84) | ALDH1A1LMNACES2CES1CA1 | |
| Nitrobenzene SCHEMBL28339777 | 0.81 | ALDH1A1 (0.73) | ALDH1A1LMNAACP3CES2CES1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7943759-B2 | 3-β-D-ribofuranosylthiazolo[4-5-d]pyrimidine nucleosides and uses thereof | ANADYS PHARMACEUTICALS, INC. (US) | 2011-05-17 | — | — | US | disclosed |
| US-20100261667-A1 | 3-ß-D-RIBOFURANOSYLTHIAZOLO[4-5-d]PYRIMIDINE NUCLEOSIDES AND USES THEREOF | ANADYS PHARMACEUTICALS, INC. (US) | 2010-10-14 | — | — | US | disclosed |
| US-7745415-B2 | 3-β-D-ribofuranosylthiazolo[4,5-d]pyrimidine nucleosides and uses thereof | ANADYS PHARMACEUTICALS, INC. (US) | 2010-06-29 | — | — | US | disclosed |
| US-20080255063-A1 | 3-B-D-RIBOFURANOSYLTHIAZOLO[4,5-d]PYRIMIDINE NUCLEOSIDES AND USES THEREOF | ANADYS PHARMACEUTICALS, INC. (US) | 2008-10-16 | — | — | US | disclosed |
| US-20080070852-A1 | 3-Beta-D-Ribofuranosylthiazolo[ 4,5-D] Pyridimine Nucleosides and Uses Thereof | ANADYS PHARMACEUTICALS, INC. | 2008-03-20 | — | — | US | 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 (3 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-20080255063-A1 | 3-B-D-RIBOFURANOSYLTHIAZOLO[4,5-d]PYRIMIDINE NUCLEOSIDES AND USES THEREOF | DPYD, TYMP, DCTD | ALDH1A1 904/4885LMNA 3476/4885ACP3 3899/4885 |
| US-20100261667-A1 | 3-ß-D-RIBOFURANOSYLTHIAZOLO[4-5-d]PYRIMIDINE NUCLEOSIDES AND USES THEREOF | TYMP, DPYD, NUDT1 | ALDH1A1 818/4885LMNA 3389/4885ACP3 3889/4885 |
| US-20080070852-A1 | 3-Beta-D-Ribofuranosylthiazolo[ 4,5-D] Pyridimine Nucleosides and Uses Thereof | ADORA2B, DPYD, ADAR | ALDH1A1 1059/4885LMNA 1741/4885ACP3 4140/4885 |
“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.