Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.32 |
| ▸ | ATM | Q13315 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1876028 | 0.86 | NPSR1 (0.36) | NPSR1HTR1ADRD2HTR2ASMN1; SMN2 | |
| SCHEMBL1750172 | 0.78 | TSHR (0.38) | NPSR1SMN1; SMN2KMT2AMAPTALDH1A1 | |
| SCHEMBL12529326 | 0.68 | ALDH1A1 (0.36) | NPSR1SMN1; SMN2KMT2ARAB9AMAPT | |
| SCHEMBL12529340 | 0.68 | MAPT (0.42) | NPSR1SMN1; SMN2KMT2ARAB9AMAPT | |
| SCHEMBL12529315 | 0.65 | ALDH1A1 (0.36) | NPSR1SMN1; SMN2KMT2ARAB9AMAPT | |
| SCHEMBL17081012 | 0.64 | HTR1A (0.53) | HTR1ADRD2HTR2A | |
| SCHEMBL1150933 | 0.64 | NPSR1 (0.38) | NPSR1SMN1; SMN2KMT2ARAB9AALDH1A1 | |
| SCHEMBL13696591 | 0.64 | KDM4E (0.68) | SMN1; SMN2KMT2ARAB9AMAPTNPC1 | |
| SCHEMBL12529331 | 0.63 | ALDH1A1 (0.33) | NPSR1SMN1; SMN2KMT2AMAPTMEN1 | |
| SCHEMBL13696593 | 0.62 | KDM4E (0.51) | SMN1; SMN2KMT2ARAB9AMAPTMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7968553-B2 | e.g. N-(4-fluorobenzyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide; viricide in combination with other HIV/AIDS antivirals, immunomodulators, antibiotics or vaccines; AIDS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2011-06-28 | — | — | US | disclosed |
| US-7414045-B2 | Substituted pyrimido[1,2-a]azepines useful as HIV integrase inhibitors | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2008-08-19 | — | — | US | disclosed |
| US-20080176869-A1 | Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors | MSD ITALIA S.R.L. (IT) | 2008-07-24 | — | — | 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-20080176869-A1 | Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors | TYMS, TYMP, DPYD | NPSR1 4347/4885HTR1A 2609/4885DRD2 2829/4885 |
“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.