Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
| ▸ | CTSL | P07711 | 2/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CTSC | P53634 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15221425 | 0.96 | SMN1; SMN2 (0.36) | SMN1; SMN2KDM4ETSHRHPGDHSD17B10 | |
| SCHEMBL19124635 | 0.85 | KDM4E (0.41) | SMN1; SMN2KDM4ETSHRHPGDHSD17B10 | |
| SCHEMBL9954167 | 0.83 | CYP1A2 (0.43) | SMN1; SMN2KDM4ETSHRHPGDHSD17B10 | |
| SCHEMBL14999473 | 0.82 | SMN1; SMN2 (0.40) | SMN1; SMN2KDM4ETSHRHPGDHSD17B10 | |
| SCHEMBL27892076 | 0.82 | CYP1A2 (0.42) | SMN1; SMN2KDM4ETSHRHPGDHSD17B10 | |
| SCHEMBL16846923 | 0.73 | PDE4A (0.33) | PDE4A | |
| SCHEMBL17829153 | 0.72 | NPFFR1 (0.35) | TSHRCYP3A4MAPTDPP4 | |
| SCHEMBL27755650 | 0.72 | MMP8 (0.41) | SMN1; SMN2KDM4ETSHRHPGDHSD17B10 | |
| SCHEMBL9231201 | 0.71 | CYP2D6 (0.48) | SMN1; SMN2TSHRCTSSCYP3A4 | |
| SCHEMBL7839246 | 0.70 | SMN1; SMN2 (0.46) | SMN1; SMN2KDM4ETSHRCTSSCTSK |
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 |
|---|---|---|---|---|---|---|---|
| EP-3229805-B1 | SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-04-19 | — | — | EP | disclosed |
| US-20170334924-A1 | Spirocyclic Heterocyclic Compounds Useful As HIV Integrase Inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-11-23 | — | — | US | disclosed |
| US-20170334924-A1 | Spirocyclic Heterocyclic Compounds Useful As HIV Integrase Inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-11-23 | — | — | US | disclosed |
| WO-2016090545-A1 | SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRATE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-16 | — | — | WO | disclosed |
| WO-2016094197-A1 | SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-16 | — | — | WO | 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-20170334924-A1 | Spirocyclic Heterocyclic Compounds Useful As HIV Integrase Inhibitors | CCNY, CDKN1A, RPIA | SMN1; SMN2 3943/4885KDM4E 2020/4885TSHR 3016/4885 |
“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.