Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 6/20 | 0.84 |
| ▸ | EPHA2 | P29317 | 6/20 | 0.84 |
| ▸ | CASP7 | P55210 | 3/20 | 0.84 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.84 |
| ▸ | VDR | P11473 | 3/20 | 0.84 |
| ▸ | TP53 | P04637 | 2/20 | 0.84 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.84 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.84 |
| ▸ | BLM | P54132 | 2/20 | 0.84 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.84 |
| ▸ | USP2 | O75604 | 2/20 | 0.84 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.84 |
| ▸ | MDM4 | O15151 | 1/20 | 0.84 |
| ▸ | MAPT | P10636 | 1/20 | 0.84 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.84 |
| ▸ | TSHR | P16473 | 1/20 | 0.84 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.84 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.84 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.84 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.84 |
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 | |
|---|---|---|---|---|
| SCHEMBL4740099 | 1.00 | GPBAR1 (0.84) | GPBAR1EPHA2CASP7HIF1AVDR | |
| SCHEMBL14375317 | 1.00 | GPBAR1 (0.84) | GPBAR1EPHA2CASP7HIF1AVDR | |
| SCHEMBL14189960 | 1.00 | GPBAR1 (0.84) | GPBAR1EPHA2CASP7HIF1AVDR | |
| SCHEMBL13427830 | 1.00 | GPBAR1 (0.84) | GPBAR1EPHA2CASP7HIF1AVDR | |
| SCHEMBL10136303 | 1.00 | GPBAR1 (0.84) | GPBAR1EPHA2CASP7HIF1AVDR | |
| SCHEMBL23844885 | 1.00 | GPBAR1 (0.84) | GPBAR1EPHA2CASP7HIF1AVDR | |
| SCHEMBL12251430 | 1.00 | GPBAR1 (0.84) | GPBAR1EPHA2CASP7HIF1AVDR | |
| Lithocholic Acid SCHEMBL24001494 | 0.91 | GPBAR1 (1.00) | GPBAR1EPHA2CASP7HIF1AVDR | |
| Lithocholic Acid SCHEMBL22479406 | 0.91 | GPBAR1 (1.00) | GPBAR1EPHA2CASP7HIF1AVDR | |
| Lithocholic Acid SCHEMBL23923735 | 0.91 | GPBAR1 (1.00) | GPBAR1EPHA2CASP7HIF1AVDR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230218638-A1 | NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF | SAGE THERAPEUTICS, INC. | 2023-07-13 | — | — | US | disclosed |
| US-20170304321-A1 | NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF | SAGE THERAPEUTICS INC (US) | 2017-10-26 | — | — | US | disclosed |
| US-20160022701-A1 | NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF | SAGE THERAPEUTICS INC (US) | 2016-01-28 | — | — | US | disclosed |
| US-20150158903-A1 | NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF | SAGE THERAPEUTICS, INC. (US) | 2015-06-11 | — | — | 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-20160022701-A1 | NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF | CYP21A2, CYP24A1, HSD17B2 | GPBAR1 907/4885EPHA2 283/4885CASP7 4856/4885 |
| US-20150158903-A1 | NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF | CHRNB4, CHRNB3, MC2R | GPBAR1 468/4885EPHA2 546/4885CASP7 3146/4885 |
| US-20230218638-A1 | NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF | GRIN3B, GRIN2A, GRIN1 | GPBAR1 168/4885EPHA2 884/4885CASP7 4772/4885 |
| US-20170304321-A1 | NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF | GRIN3B, GRIN2A, GRIN1 | GPBAR1 168/4885EPHA2 884/4885CASP7 4772/4885 |
“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.