Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | MASP2 | O00187 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL13942760 | 0.78 | ALDH1A1 (0.56) | ALDH1A1MASP2MEN1NUDT1KMT2A | |
| SCHEMBL28573586 | 0.74 | DDAH1 (0.51) | ALDH1A1MASP2MEN1NUDT1KMT2A | |
| SCHEMBL30587443 | 0.73 | ALDH1A1 (1.00) | ALDH1A1MASP2MEN1NUDT1KMT2A | |
| SCHEMBL29391888 | 0.73 | RAB9A (0.66) | ALDH1A1MASP2MEN1NUDT1KMT2A | |
| SCHEMBL111276 | 0.73 | RAB9A (0.66) | ALDH1A1MASP2MEN1NUDT1KMT2A | |
| SCHEMBL9098 | 0.73 | ALDH1A1 (1.00) | ALDH1A1MASP2MEN1NUDT1KMT2A | |
| SCHEMBL5924625 | 0.73 | ALDH1A1 (0.60) | ALDH1A1MASP2MEN1NUDT1KMT2A | |
| SCHEMBL172216 | 0.72 | NPC1 (1.00) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| SCHEMBL30634854 | 0.72 | NPC1 (1.00) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| SCHEMBL30561047 | 0.72 | NPC1 (1.00) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6951948-B2 | Method for synthesis of substituted azole libraries | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2005-10-04 | — | — | US | disclosed |
| US-6683191-B2 | PREPARING A AZOLE COMPOUND ON A SOLID SUPPORT RESIN, CLEAVING THE COMPOUND FROM THE SOLID SUPPORT RESIN BY NUCLEOPHILIC SUBSTITUTION TO FURTHER SUBSTITUTING BY ALKYLATION REACTION | ORTHO-MCNEIL PHARMACEUTICALS, INC. | 2004-01-27 | — | — | US | disclosed |
| US-20020077483-A1 | Method for synthesis of substituted azole libraries | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2002-06-20 | — | — | US | disclosed |
| US-20020042520-A1 | Method for synthesis of substituted azole libraries | ORTHO-MCNEIL PHARMACEUTICALS, INC. | 2002-04-11 | — | — | US | disclosed |
| WO-2001094317-A2 | METHOD FOR SYNTHESIS OF SUBSTITUTED AZOLE LIBRARIES | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-12-13 | — | — | WO | disclosed |
| WO-2001094318-A2 | METHOD FOR SYNTHESIS OF SUBSTITUTED AZOLE LIBRARIES | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-12-13 | — | — | WO | disclosed |
| EP-0295401-A2 | Process for polymerizing polar compounds | WACKER-CHEMIE GMBH (DE) | 1988-12-21 | — | — | 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 (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-20020077483-A1 | Method for synthesis of substituted azole libraries | CYP51A1, LSS, CYP2F1 | ALDH1A1 711/4885MASP2 2750/4885MEN1 214/4885 |
| US-20020042520-A1 | Method for synthesis of substituted azole libraries | CYP51A1, LSS, CYP2F1 | ALDH1A1 711/4885MASP2 2750/4885MEN1 214/4885 |
“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.