Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | ESRRB | O95718 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESRRA | P11474 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4851685 | 0.80 | DHODH (0.62) | DHODHADORA1ADORA2AALDH1A1KMT2A | |
| SCHEMBL16685781 | 0.74 | CYP2D6 (0.39) | DHODHADORA1ADORA2AALDH1A1KMT2A | |
| SCHEMBL7447577 | 0.73 | MEN1 (0.47) | DHODHADORA1ADORA2AALDH1A1KMT2A | |
| SCHEMBL29793367 | 0.73 | ACHE (0.61) | DHODHADORA1ALDH1A1KMT2AMEN1 | |
| SCHEMBL785473 | 0.73 | ACHE (0.61) | DHODHADORA1ALDH1A1KMT2AMEN1 | |
| SCHEMBL30968012 | 0.72 | LMNA (0.46) | ADORA1ADORA2AALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL29244675 | 0.72 | CYP2D6 (0.37) | DHODHADORA2AALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL9974638 | 0.72 | ADORA1 (0.58) | ADORA1ADORA2AALDH1A1KMT2AMEN1 | |
| SCHEMBL30967989 | 0.72 | CYP2D6 (0.40) | DHODHADORA2AALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL16613449 | 0.71 | ALDH1A1 (0.52) | DHODHADORA1ADORA2AALDH1A1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6423711-B1 | USEFUL IN DIAGNOSIS AND THERAPY OF ANXIETY, DOWN SYNDROME, SLEEP, COGNITIVE AND SEIZURE DISORDERS, AND OVERDOSE WITH BENZODIAZEPINE DRUGS AND FOR ENHANCEMENT OF ALERTNESS | NEUROGEN CORPORATION | 2002-07-23 | — | — | US | disclosed |
| US-20020077474-A1 | Heterocyclic amino substituted heteroaryl fused pyridines; GABA brain receptor ligands | NEUROGEN | 2002-06-20 | — | — | US | disclosed |
| US-6380209-B1 | HIGHLY SELECTIVE AGONISTS, ANTAGONISTS OR INVERSE AGONISTS FOR GABA BRAIN RECEPTORS OR PRODRUGS, USEFUL IN THE DIAGNOSIS AND TREATMENT OF ANXIETY, DOWN SYNDROME, SLEEP, COGNITIVE AND SEIZURE DISORDERS | NEUROGEN CORPORATION | 2002-04-30 | — | — | US | disclosed |
| US-6166203-A | Heterocyclic amino substituted heteroaryl fused pyridines; GABA brain receptor ligands | NEUROGEN CORPORATION (US) | 2000-12-26 | — | — | US | disclosed |
| US-6103903-A | ANXIOLYTIC AGENTS, ANTICONVULSANTS, COGNITION ACTIVATORS | NEUROGEN CORPORATION (US) | 2000-08-15 | — | — | 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-20020077474-A1 | Heterocyclic amino substituted heteroaryl fused pyridines; GABA brain receptor ligands | GABRA1, GABRA2, GABRA3 | DHODH 3178/4885ADORA1 75/4885ADORA2A 67/4885 |
“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.