Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
| ▸ | RXRG | P48443 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5202527 | 0.83 | ENPP2 (0.34) | TSHRRXRA | |
| SCHEMBL17111856 | 0.83 | RXRA (0.41) | NR1H4AKR1B1GAAPTGS1AKR1C3 | |
| SCHEMBL4380249 | 0.80 | PNMT (0.36) | ALDH1A1NFKB1 | |
| SCHEMBL4491403 | 0.80 | HTR2A (0.33) | ADRB2MEN1KMT2A | |
| SCHEMBL6011785 | 0.78 | PTGDR2 (0.31) | NR1H3 | |
| SCHEMBL4502129 | 0.78 | TAAR1 (0.45) | — | |
| SCHEMBL9398932 | 0.78 | OPRK1 (0.40) | NR1H4ALDH1A1MEN1KMT2A | |
| SCHEMBL9398927 | 0.77 | TACR3 (0.31) | MEN1KMT2A | |
| SCHEMBL840464 | 0.75 | ADRB1 (0.45) | ADRB2ADRB3GAAALDH1A1TSHR | |
| SCHEMBL7124643 | 0.74 | SLC6A2 (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2025667-B1 | 9,10-SECOPREGNANE DERIVATIVE AND PHARMACEUTICAL | NIPPON SHINYAKU CO LTD (JP) | 2016-08-10 | — | — | EP | disclosed |
| US-8796246-B2 | 9, 10-secopregnane derivative and pharmaceutical | NIPPON SHINYAKU CO., LTD. (JP) | 2014-08-05 | — | — | US | disclosed |
| US-20100130454-A1 | 9,10-SECOPREGNANE DERIVATIVES AND MEDICINE | NIPPON SHINYAKU CO., LTD. (JP) | 2010-05-27 | — | — | US | disclosed |
| US-20100016263-A1 | 9, 10-SECOPREGNANE DERIVATIVE AND PHARMACEUTICAL | NIPPON SHINYAKU CO., LTD. (JP) | 2010-01-21 | — | — | US | disclosed |
| EP-2025667-A1 | 9,10-SECOPREGNANE DERIVATIVE AND PHARMACEUTICAL | Nippon Shinyaku Co., Ltd. (JP) | 2009-02-18 | — | — | EP | disclosed |
| EP-1829860-A1 | 9,10-SECOPREGNANE DERIVATIVE AND MEDICINE | Nippon Shinyaku Co., Ltd. (JP) | 2007-09-05 | — | — | EP | 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 (2 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-20100130454-A1 | 9,10-SECOPREGNANE DERIVATIVES AND MEDICINE | VDR, CYP2R1, CYP24A1 | CYP1A2 334/4885CYP2C19 364/4885NR1H4 12/4885 |
| US-20100016263-A1 | 9, 10-SECOPREGNANE DERIVATIVE AND PHARMACEUTICAL | CYP2R1, VDR, CYP24A1 | CYP1A2 238/4885CYP2C19 140/4885NR1H4 26/4885 |
“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.