Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD2 | Q9NRG4 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL16615644 | 0.92 | SMYD2 (0.35) | SMYD2CYP3A4HTTSMN1; SMN2MAPT | |
| SCHEMBL17997142 | 0.87 | SMYD2 (0.36) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL17997139 | 0.87 | SMYD2 (0.36) | SMYD2CYP3A4HTTSMN1; SMN2MAPT | |
| SCHEMBL30169868 | 0.86 | BTN3A1 (0.33) | SMYD2CYP3A4HTTSMN1; SMN2MAPT | |
| SCHEMBL17997138 | 0.85 | SMYD2 (0.38) | SMYD2CYP3A4HTTSMN1; SMN2MAPT | |
| SCHEMBL17968357 | 0.80 | SMYD2 (0.35) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL16615643 | 0.80 | SMYD2 (0.35) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL19885025 | 0.80 | SMYD2 (0.35) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL31049119 | 0.79 | SMYD2 (0.40) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL14117299 | 0.78 | SMYD2 (0.39) | SMYD2CYP3A4HTTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180194774-A1 | Fused Tricyclic Heterocyclic Compounds Useful For Treating HIV Infection | MERCK SHARP & DOHME CORP. (US) | 2018-07-12 | — | — | US | disclosed |
| US-20180051043-A1 | PHOSPHATE SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-02-22 | — | — | US | disclosed |
| US-20180028509-A1 | SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-02-01 | — | — | US | disclosed |
| US-9861620-B2 | Substituted quinolizine derivatives useful as HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2018-01-09 | — | — | US | disclosed |
| US-20160228419-A1 | SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-08-11 | — | — | 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 (4 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-20180194774-A1 | Fused Tricyclic Heterocyclic Compounds Useful For Treating HIV Infection | CXCR4, CCR5, CXCR1 | SMYD2 1842/4885CYP3A4 24/4885HTT 3214/4885 |
| US-20160228419-A1 | SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS | NQO2, CYP3A5, QTRT1 | SMYD2 2398/4885CYP3A4 27/4885HTT 4588/4885 |
| US-20180028509-A1 | SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS | NQO2, CYP3A5, QTRT1 | SMYD2 2398/4885CYP3A4 27/4885HTT 4588/4885 |
| US-20180051043-A1 | PHOSPHATE SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS | TYMP, RPIA, NQO2 | SMYD2 3167/4885CYP3A4 277/4885HTT 4769/4885 |
“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.