Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRB1ADRB2ADRB3CYP11B1DPP4FGFR1FGFR2FGFR3FGFR4HRH1JAK1JAK2JAK3KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITNAOPRD1OPRK1OPRM1PPDGFRBPIK3CDSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASMOTYK2polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Benzene. 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 | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.39 |
| ▸ | ALPI | P09923 | 1/20 | 0.39 |
| ▸ | ALPG | P10696 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 6/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28344709 | 1.00 | NAPRT (0.60) | NAPRTTSHRTDP1CA2CA4 | |
| Pyridine SCHEMBL273314 | 1.00 | NAPRT (0.60) | NAPRTTSHRTDP1CA2CA4 | |
| Pyridine SCHEMBL28548371 | 1.00 | NAPRT (0.60) | NAPRTTSHRTDP1CA2CA4 | |
| Pyridine SCHEMBL28901683 | 1.00 | NAPRT (0.60) | NAPRTTSHRTDP1CA2CA4 | |
| Pyridine SCHEMBL26605130 | 1.00 | NAPRT (0.60) | NAPRTTSHRTDP1CA2CA4 | |
| Pyridine SCHEMBL273312 | 1.00 | NAPRT (0.60) | NAPRTTSHRTDP1CA2CA4 | |
| Pyridine SCHEMBL15647489 | 0.97 | TSHR (0.56) | NAPRTTSHRTDP1CA2CA4 | |
| Pyridine SCHEMBL28958471 | 0.97 | TSHR (0.56) | NAPRTTSHRTDP1CA2CA4 | |
| Pyridine SCHEMBL1652035 | 0.97 | TSHR (0.56) | NAPRTTSHRTDP1CA2CA4 | |
| Pyridine SCHEMBL27510816 | 0.97 | TSHR (0.56) | NAPRTTSHRTDP1CA2CA4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2366785-B1 | OLIGONUCLEOTIDE DERIVATIVE, LABELING AGENT, AND USE OF THE LABELING AGENT | JAPAN SCIENCE & TECH AGENCY (JP) | 2013-01-16 | — | — | EP | disclosed |
| US-8354515-B2 | Oligonucleotide derivative, labeling agent and use for labeling agent | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2013-01-15 | — | — | US | disclosed |
| US-20120126175-A1 | OLIGONUCLEOTIDE DERIVATIVE, LABELING AGENT AND USE FOR LABELING AGENT | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2012-05-24 | — | — | US | disclosed |
| EP-2366785-A1 | OLIGONUCLEOTIDE DERIVATIVE, LABELING AGENT, AND USE OF THE LABELING AGENT | Japan Science And Technology Agency (JP) | 2011-09-21 | — | — | 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-20120126175-A1 | OLIGONUCLEOTIDE DERIVATIVE, LABELING AGENT AND USE FOR LABELING AGENT | UPF1, SPIN4, SRRT | NAPRT 1654/4885TSHR 2399/4885TDP1 1135/4885 |
“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.