Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 7/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 7/20 | 0.37 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8540688 | 0.89 | PTGS1 (0.45) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL9690451 | 0.87 | TSHR (0.49) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL7968813 | 0.81 | PTGS1 (0.48) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL7335483 | 0.80 | USP2 (0.54) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059305 | 0.79 | PTGS1 (0.64) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL10367354 | 0.79 | CYP3A4 (0.67) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL30534604 | 0.79 | CYP3A4 (0.67) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL8543897 | 0.78 | TTPA (0.42) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL7336256 | 0.78 | MAPT (0.46) | CYP3A4TSHRACHELMNANPSR1 | |
| SCHEMBL2059278 | 0.78 | CYP3A4 (0.65) | PTGS1PTGS2CYP1A2CYP3A4TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5646149-A | N,N*-SUBSTITUTED PIPERAZINE DERIVATIVES; VISION DEFECTS | ALCON LABORATORIES, INC. (US) | 1997-07-08 | — | — | US | disclosed |
| EP-0682664-A1 | COMPOUNDS HAVING BOTH POTENT CALCIUM ANTAGONIST AND ANTIOXIDANT ACTIVITY AND USE THEREOF AS CYTOPROTECTIVE AGENTS | ALCON LABORATORIES, INC. (US) | 1995-11-22 | — | — | EP | disclosed |
| WO-1995015958-A1 | COMPOUNDS HAVING BOTH POTENT CALCIUM ANTAGONIST AND ANTIOXIDANT ACTIVITY AND USE THEREOF AS CYTOPROTECTIVE AGENTS | ALCON LABORATORIES, INC. (US) | 1995-06-15 | — | — | WO | disclosed |