Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | PKM | P14618 | 2/20 | 0.58 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL65075 | 1.00 | ALDH1A1 (0.65) | ALDH1A1PKMSOS1KMT2APOLB | |
| SCHEMBL11418348 | 0.87 | ALDH1A1 (0.59) | ALDH1A1PKMSOS1KMT2APOLB | |
| SCHEMBL8027600 | 0.85 | MITF (0.56) | ALDH1A1PKMSOS1KMT2APOLB | |
| SCHEMBL29350870 | 0.85 | ALDH1A1 (0.56) | ALDH1A1PKMSOS1KMT2APOLB | |
| SCHEMBL65064 | 0.84 | ALDH1A1 (0.67) | ALDH1A1PKMSOS1KMT2APOLB | |
| SCHEMBL65131 | 0.84 | ALDH1A1 (0.67) | ALDH1A1PKMSOS1KMT2APOLB | |
| SCHEMBL29054325 | 0.80 | CHRM1 (0.65) | ALDH1A1PKMSOS1KMT2ACHRM1 | |
| Iodide SCHEMBL9193054 | 0.80 | ALDH1A1 (0.51) | ALDH1A1PKMSOS1KMT2APOLB | |
| SCHEMBL28556960 | 0.80 | ALDH1A1 (0.61) | ALDH1A1PKMSOS1KMT2APOLB | |
| SCHEMBL65129 | 0.79 | ALDH1A1 (0.60) | ALDH1A1PKMSOS1KMT2APOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-20120130082-A1 | 1-Substituted-4-Nitroimidazole Compound and Method for Preparing the Same | OTSUKA PHARMACEUTICAL CO., LTD. | 2012-05-24 | — | — | US | disclosed |
| US-8129544-B2 | Preparation of 4-nitroimidazoles that are 2-substituted with a halo or optionally oxidized phenylthio group and 1-substituted with hydrogen, an oxiranylmethyl-, or a phenyl- group; dehalogenation, reduction, nitration, rearrangement | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-03-06 | — | — | US | disclosed |
| US-7807843-B2 | 1-substituted-4-nitroimidazole compound and method for preparing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2010-10-05 | — | — | US | disclosed |
| US-20080097107-A1 | 1-substituted-4-nitroimidazole compound and method for preparing the same | OTSUKA PHARMACEUTICAL CO. LTD. | 2008-04-24 | — | — | 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 (2 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-20120130082-A1 | 1-Substituted-4-Nitroimidazole Compound and Method for Preparing the Same | CBR1, CBR3, DCXR | ALDH1A1 836/4885PKM 1876/4885SOS1 2129/4885 |
| US-20080097107-A1 | 1-substituted-4-nitroimidazole compound and method for preparing the same | CBR1, CBR3, DCXR | ALDH1A1 836/4885PKM 1876/4885SOS1 2129/4885 |
“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.