Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 7/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 5/20 | 0.39 |
| ▸ | CASR | P41180 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2859487 | 0.86 | NOS2 (0.44) | NOS2SLC6A2SLC6A4CYP2D6KCNH2 | |
| SCHEMBL2866287 | 0.80 | MAOB (0.45) | NOS2HTR1AADRA2AADRA2BMAOA | |
| SCHEMBL2866284 | 0.80 | MAOB (0.45) | NOS2HTR1AADRA2AADRA2BMAOA | |
| SCHEMBL13085570 | 0.77 | NOS2 (0.48) | NOS2HTR1AADRA2AADRA2BMAOA | |
| SCHEMBL772630 | 0.77 | NOS2 (0.48) | NOS2HTR1AADRA2AADRA2BMAOA | |
| SCHEMBL2866710 | 0.76 | TRPV4 (0.42) | NOS2HTR1AADRA2AADRA2BMAOA | |
| SCHEMBL2866712 | 0.74 | HTR1A (0.46) | NOS2HTR1AADRA2AADRA2BMAOA | |
| SCHEMBL11872099 | 0.74 | HTR1A (0.70) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL2111572 | 0.73 | KIF11 (0.50) | CYP2D6ALDH1A1CASRCTSK | |
| Hydrochloric Acid SCHEMBL11758427 | 0.73 | HTR1A (0.68) | HTR1AADRA2AADRA2BMAOAHTR2B |
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-7816405-B2 | Calcium bis [(2S)-3-[3-[(2S)-3-(4-chloro-2-cyanophenoxy)-2-fluoropropoxy]phenyl ]-2-isopropoxypropionate] and intermediate thereof | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-10-19 | — | — | US | disclosed |
| US-20090069591-A1 | Calcium Bis [ (2S) -3- [3-[ (2S) -3- (4-Chloro-2-Cyanophenoxy) -2- Fluoropropoxy]Phenyl] -2- Isopropoxypropionate] and Intermediate Thereof | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2009-03-12 | — | — | US | disclosed |
| EP-1873141-A1 | CALCIUM BIS[2S)-3-[3-(2S)-3-(4-CHLORO-2-CYANOPHENOXY)-2- FLUOROPROPOXY¨PHENYL]-2-ISOPROPOXYPROPIONATE] AND INTERMEDIATE THEREOF | Eisai R&D Management Co., Ltd. (JP) | 2008-01-02 | — | — | EP | disclosed |
| US-20070117866-A1 | Calcium bis [ (2S) - 3- [3-[ (2S) -3- (4-chloro-2-cyanophenoxy) -2- fluoropropoxy]phenyl ]-2-isopropoxypropionate] and intermediate thereof | EISAI CO., LTD. (JP) | 2007-05-24 | — | — | 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 (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-20090069591-A1 | Calcium Bis [ (2S) -3- [3-[ (2S) -3- (4-Chloro-2-Cyanophenoxy) -2- Fluoropropoxy]Phenyl] -2- Isopropoxypropionate] and Intermediate Thereof | CA2, CACNA1A, CACNA1C | NOS2 2497/4885HTR1A 1637/4885ADRA2A 961/4885 |
| US-20070117866-A1 | Calcium bis [ (2S) - 3- [3-[ (2S) -3- (4-chloro-2-cyanophenoxy) -2- fluoropropoxy]phenyl ]-2-isopropoxypropionate] and intermediate thereof | CA2, CACNA1A, CACNA1C | NOS2 2497/4885HTR1A 1637/4885ADRA2A 961/4885 |
“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.