Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | DHODH | Q02127 | 2/20 | 0.55 |
| ▸ | GMNN | O75496 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | PIM1 | P11309 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.55 |
| ▸ | CCKBR | P32239 | 1/20 | 0.55 |
| ▸ | MC4R | P32245 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | THPO | P40225 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL8808399 | 0.83 | RAB9A (0.51) | NPC1CYP3A4RAB9ADHODHGMNN | |
| SCHEMBL8811883 | 0.83 | SMN1; SMN2 (0.59) | NPC1CYP3A4RAB9ADHODHGMNN | |
| SCHEMBL5071880 | 0.79 | RAB9A (0.44) | NPC1CYP3A4RAB9ADHODHGMNN | |
| SCHEMBL20368971 | 0.76 | CYP3A4 (0.51) | NPC1CYP3A4RAB9ADHODHGMNN | |
| SCHEMBL9114519 | 0.74 | DHODH (0.64) | NPC1CYP3A4RAB9ADHODHGMNN | |
| SCHEMBL9754181 | 0.74 | NR1H4 (0.43) | NPC1CYP3A4RAB9ADHODHGMNN | |
| SCHEMBL8822133 | 0.74 | DHODH (0.64) | NPC1CYP3A4RAB9ADHODHGMNN | |
| SCHEMBL31393782 | 0.73 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL9391011 | 0.72 | NPC1 (0.61) | NPC1CYP3A4RAB9ADHODHGMNN | |
| SCHEMBL28643943 | 0.72 | NPC1 (0.53) | NPC1RAB9AALDH1A1ESR1ESR2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050080118-A1 | Pharmaceuticals for the treatment of rejection reactions in organ transplantations | AVENTIS PHARMA DEUTSCHLAND GMBH | 2005-04-14 | — | — | US | claimed |
| US-7402601-B2 | Pharmaceuticals for the treatment of rejection reactions in organ transplantations | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2008-07-22 | — | — | US | disclosed |
| US-20050080118-A1 | Pharmaceuticals for the treatment of rejection reactions in organ transplantations | AVENTIS PHARMA DEUTSCHLAND GMBH | 2005-04-14 | — | — | US | disclosed |
| US-6288098-B1 | ADMINISTERING N-(4-TRIFLUOROMETHYL)-5-METHYLISOXAZOLE-4-CARBOXANILIDE AND N-(4-TRIFLUOROMETHYLPHENYL)-2-CYANO-3-HYDROXYCROTONAMIDE | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2001-09-11 | — | — | US | disclosed |
| US-6133301-A | TREATING HYPERACUTE AND CHRONIC REJECTION REACTIONS BY ADMINISTERING A DRUG CONTAINING AT LEAST ONE OF N-(4-TRIFLUOROMETHYL)-5-METHYLISOXAZOLE-4-CARBOXANILIDE AND N-(4-TRIFLUOROMETHYLPHENYL)-2-CYANO-3-HYDROXYCROTONAMIDE | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2000-10-17 | — | — | US | disclosed |
| US-5728721-A | N-(4-TRIFLUOROMETHYL)-5-METHYLISOXAZOLE-4-CARBOXANILIDE, N-(4-TRIFLUOROMETHYLPHENYL)-2-CYANO-3-HYDROXYCROTONAMIDE | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-03-17 | — | — | 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 (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-20050080118-A1 | Pharmaceuticals for the treatment of rejection reactions in organ transplantations | MRGPRX2, TPMT, MRGPRX1 | NPC1 946/4885CYP3A4 23/4885RAB9A 2190/4885 |
“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.