Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | TP53 | P04637 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | NCF1 | P14598 | 4/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9064380 | 0.89 | TSHR (0.62) | CYP3A4TP53TSHRNCF1MAOB | |
| SCHEMBL15219217 | 0.87 | KDM4E (0.57) | CYP3A4TP53TSHRNCF1ALDH1A1 | |
| SCHEMBL3791936 | 0.87 | CYP3A4 (0.69) | CYP3A4TP53TSHRMAOBALDH1A1 | |
| SCHEMBL29502076 | 0.87 | CYP3A4 (0.69) | CYP3A4TP53TSHRMAOBALDH1A1 | |
| SCHEMBL18217377 | 0.85 | TSHR (0.59) | CYP3A4TP53TSHRNCF1MAOB | |
| SCHEMBL16669059 | 0.85 | KDM4E (0.59) | CYP3A4TP53TSHRNCF1ALDH1A1 | |
| SCHEMBL16667635 | 0.85 | KDM4E (0.59) | CYP3A4TP53TSHRNCF1ALDH1A1 | |
| SCHEMBL15720636 | 0.84 | TSHR (0.58) | CYP3A4TP53TSHRMAOBALDH1A1 | |
| SCHEMBL16758752 | 0.84 | TSHR (0.58) | CYP3A4TP53TSHRMAOBALDH1A1 | |
| SCHEMBL14839599 | 0.84 | TSHR (0.58) | CYP3A4TP53TSHRMAOBALDH1A1 |
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-20040110778-A1 | Heterocyclic compounds as ligands of the GABAA receptor | YOHANNES DANIEL (US) | 2004-06-10 | — | — | US | claimed |
| EP-1325006-A2 | HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR | NEUROGEN CORPORATION (US) | 2003-07-09 | — | — | EP | claimed |
| US-20030105081-A1 | Heterocyclic compounds as ligands of the GABAA receptor | PFIZER INC | 2003-06-05 | — | — | US | claimed |
| WO-2002012442-A2 | HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR | NEUROGEN CORPORATION (US) | 2002-02-14 | — | — | WO | claimed |
| WO-2012001107-A1 | PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-05 | — | — | WO | disclosed |
| US-6949562-B2 | Heterocyclic compounds as ligands of the GABAA receptor | NEUROGEN CORPORATION (US) | 2005-09-27 | — | — | US | disclosed |
| US-6653471-B2 | Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction | NEUROGEN CORPORATION | 2003-11-25 | — | — | 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-20030105081-A1 | Heterocyclic compounds as ligands of the GABAA receptor | GABRB1, GABRP, GABRA1 | CYP3A4 403/4885TP53 4736/4885TSHR 252/4885 |
| US-20040110778-A1 | Heterocyclic compounds as ligands of the GABAA receptor | GABRB1, GABRP, GABRA1 | CYP3A4 403/4885TP53 4736/4885TSHR 252/4885 |
“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.