Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA4 | P22748 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16774337 | 0.84 | CA2 (0.49) | CA2CA12CA1CA4CA7 | |
| SCHEMBL4984973 | 0.83 | CA2 (0.48) | CA2LMNATDP1ADRB2ADRB1 | |
| SCHEMBL18737335 | 0.81 | CYP19A1 (0.50) | CA2CA12CA1CA4CA7 | |
| SCHEMBL25597681 | 0.81 | MAOB (0.47) | CA2CA12CA1CA4CA7 | |
| SCHEMBL19679584 | 0.80 | SRD5A2 (0.54) | CA2CA12CA1CA4CA7 | |
| SCHEMBL20273256 | 0.79 | PARP10 (0.59) | CA2CA12CA1CA4CA7 | |
| SCHEMBL7601684 | 0.78 | CA2 (0.55) | CA2LMNATDP1ADRB2ADRB1 | |
| SCHEMBL4865204 | 0.78 | CA12 (0.46) | CA2CA12CA1CA4CA7 | |
| SCHEMBL2802898 | 0.78 | CA12 (0.46) | CA2CA12CA1CA4CA7 | |
| SCHEMBL16774519 | 0.78 | TBXAS1 (0.50) | CA2CA12CA1CA4CA7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160244435-A1 | EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2016-08-25 | — | — | US | disclosed |
| WO-2014205414-A1 | EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-12-24 | — | — | WO | 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-20160244435-A1 | EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS | NQO1, TXN2, MPO | CA2 4271/4885CA12 4729/4885CA1 4847/4885 |
“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.