Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 3/20 | 0.43 |
| ▸ | CMA1 | P23946 | 1/20 | 0.43 |
| ▸ | TYR | P14679 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3791740 | 0.95 | BACE1 (0.53) | BACE1TAS1R3TAS1R1MEN1POLB | |
| SCHEMBL3794968 | 0.84 | BACE1 (0.50) | BACE1TAS1R3TAS1R1MEN1POLB | |
| SCHEMBL11992347 | 0.83 | BACE1 (0.49) | BACE1MEN1POLBMAPK1KMT2A | |
| SCHEMBL28523093 | 0.81 | BACE1 (0.48) | BACE1MEN1POLBMAPK1KMT2A | |
| SCHEMBL3795198 | 0.80 | HDAC1 (0.50) | AHRMAOACYP2A6HDAC1 | |
| SCHEMBL31271 | 0.80 | AHR (0.50) | BACE1MEN1POLBMAPK1KMT2A | |
| SCHEMBL6743711 | 0.79 | DRD2 (0.51) | BACE1KDM4EHSD17B10 | |
| SCHEMBL1253354 | 0.79 | NLRP3 (0.48) | BACE1MEN1POLBMAPK1KMT2A | |
| SCHEMBL24199754 | 0.78 | TAS1R3 (0.46) | BACE1TAS1R3TAS1R1MEN1POLB | |
| SCHEMBL28853730 | 0.77 | MEN1 (0.53) | BACE1TAS1R3TAS1R1MEN1POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040167158-A1 | Heterocyclic compounds for the treatment of migraine | NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) | 2004-08-26 | — | — | US | disclosed |
| US-6716837-B1 | INDOLE AND INDAZOLE COMPOUNDS | NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) | 2004-04-06 | — | — | 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-20040167158-A1 | Heterocyclic compounds for the treatment of migraine | SCN7A, CNR2, HTR7 | BACE1 706/4885TAS1R3 1305/4885TAS1R1 1767/4885 |
“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.