Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.60 |
| ▸ | MAOA | P21397 | 1/20 | 0.60 |
| ▸ | PYGL | P06737 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | CFTR | P13569 | 1/20 | 0.51 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.51 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.51 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.51 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.51 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.51 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.51 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.51 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29978546 | 1.00 | ESR1 (0.60) | ESR1MAOAPYGLHDAC1HDAC2 | |
| SCHEMBL30026512 | 0.86 | NPC1 (0.63) | MAOANPC1MAPTRAB9A | |
| SCHEMBL1576877 | 0.86 | NPC1 (0.63) | MAOANPC1MAPTRAB9A | |
| SCHEMBL22803724 | 0.86 | ESR1 (0.63) | ESR1MAOAPYGLHDAC1HDAC2 | |
| SCHEMBL4892478 | 0.84 | ESR1 (0.61) | ESR1MAOAPYGLHDAC1HDAC2 | |
| SCHEMBL31668714 | 0.84 | ESR1 (0.61) | ESR1MAOAPYGLHDAC1HDAC2 | |
| SCHEMBL13135962 | 0.83 | MAOA (0.64) | ESR1MAOAPYGLHDAC1HDAC2 | |
| Hydrochloric Acid SCHEMBL30940022 | 0.83 | ESR1 (0.60) | ESR1MAOAPYGLHDAC1HDAC2 | |
| SCHEMBL4518907 | 0.83 | ESR1 (0.52) | ESR1MAOAPYGLHDAC1HDAC2 | |
| SCHEMBL30005991 | 0.83 | MAOA (0.64) | ESR1MAOAPYGLHDAC1HDAC2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115151304-A | Small molecule interferon gene stimulating factor (STING) antagonists | 库拉德夫制药私人有限公司 | 2022-10-04 | — | — | CN | disclosed |
| WO-2020252240-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY | IFM DUE, INC. (US) | 2020-12-17 | — | — | WO | disclosed |
| US-7572806-B2 | PPAR active compounds | PLEXXIKON, INC. (US) | 2009-08-11 | — | — | US | disclosed |
| US-7572806-B2 | PPAR active compounds | PLEXXIKON, INC. (US) | 2009-08-11 | — | — | US | disclosed |
| US-20080096913-A1 | PPAR active compounds | PLEXXIKON, INC. | 2008-04-24 | — | — | US | disclosed |
| US-20080096913-A1 | PPAR active compounds | PLEXXIKON, INC. | 2008-04-24 | — | — | US | disclosed |
| US-7183252-B2 | Indole peptidomimetics as thrombin receptor antagonists | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2007-02-27 | — | — | US | disclosed |
| US-6858577-B1 | Indole peptidomimetics as thrombin receptor antagonists | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2005-02-22 | — | — | US | disclosed |
| US-20030224999-A1 | Novel indole peptidomimetics as thrombin receptor antagonists | ZHANG HAN-CHENG (US) | 2003-12-04 | — | — | US | disclosed |
| US-20020103138-A1 | Method for reducing or preventing the establishment, growth or metastasis of cancer by administering indole peptidomimetics PAR-1 antagonist and optionally PAR-2 antagonists | ORTHO-MCNEIL PHARMACEUTICAL CORPORATION | 2002-08-01 | — | — | US | disclosed |
| WO-2001000657-A2 | NOVEL INDOLE PEPTIDOMIMETICS AS THROMBIN RECEPTOR ANTAGONISTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-01-04 | — | — | 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 (3 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-20080096913-A1 | PPAR active compounds | PPARG, PPARD, PPARA | ESR1 307/4885MAOA 3993/4885PYGL 566/4885 |
| US-20020103138-A1 | Method for reducing or preventing the establishment, growth or metastasis of cancer by administering indole peptidomimetics PAR-1 antagonist and optionally PAR-2 antagonists | F2RL1, F2R, IDO2 | ESR1 2752/4885MAOA 950/4885PYGL 2728/4885 |
| US-20030224999-A1 | Novel indole peptidomimetics as thrombin receptor antagonists | PTAFR, F2R, F2RL1 | ESR1 655/4885MAOA 936/4885PYGL 2435/4885 |
“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.