Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.50 |
| ▸ | P4HB | P07237 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29706272 | 0.83 | TAAR1 (0.71) | TAAR1HSPA5MPOCYP2D6TSHR | |
| SCHEMBL1222973 | 0.83 | TAAR1 (0.71) | TAAR1HSPA5MPOCYP2D6TSHR | |
| SCHEMBL29706378 | 0.81 | TAAR1 (0.68) | TAAR1HSPA5MPOCYP2D6TSHR | |
| Ethane SCHEMBL10694585 | 0.79 | TAAR1 (0.65) | TAAR1HSPA5MPOCYP2D6TSHR | |
| SCHEMBL588785 | 0.77 | APOBEC3G (0.48) | P4HBSLC6A4 | |
| Formaldehyde SCHEMBL28980606 | 0.77 | TAAR1 (0.62) | TAAR1HSPA5MPOCYP2D6TSHR | |
| SCHEMBL25910731 | 0.76 | HSPA5 (0.52) | TAAR1HSPA5P4HBMPOCYP2D6 | |
| SCHEMBL12090255 | 0.75 | P4HB (0.57) | HSPA5P4HBCYP2D6TSHRSLC6A4 | |
| SCHEMBL4967651 | 0.74 | TAAR1 (0.65) | TAAR1HSPA5MPOCYP2D6TSHR | |
| SCHEMBL3800530 | 0.74 | TAAR1 (0.65) | TAAR1HSPA5MPOCYP2D6TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0958275-A4 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | UNIV VANDERBILT (US) | 2004-12-01 | — | — | EP | disclosed |
| US-6284918-B1 | ENZYME INHIBITORS | VANDERBILT UNIVERSITY | 2001-09-04 | — | — | US | disclosed |
| EP-0958275-A1 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | VANDERBILT UNIVERSITY (US) | 1999-11-24 | — | — | EP | disclosed |
| US-5973191-A | AN ACETOXYPHENYLALKYL SULFIDE, SALT OR HYDRATE | VANDERBILT UNIVERSITY (US) | 1999-10-26 | — | — | US | disclosed |
| WO-1998029382-A1 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | VANDERBILT UNIVERSITY (US) | 1998-07-09 | — | — | WO | disclosed |