Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | PTPN9 | P43378 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6535134 | 0.79 | TSHR (0.46) | TSHRGABRA1GABRB2POLBPTPN2 | |
| SCHEMBL6534985 | 0.78 | PTGS2 (0.47) | TSHRALDH1A1KDM4EHPGD | |
| SCHEMBL27980884 | 0.77 | TSHR (0.49) | TSHRGABRA1GABRB2POLBPTPN2 | |
| SCHEMBL6535409 | 0.77 | ALDH1A1 (0.43) | TSHRGABRA1GABRB2ALDH1A1LMNA | |
| SCHEMBL6535437 | 0.75 | TSHR (0.42) | TSHRGABRA1GABRB2POLBALDH1A1 | |
| SCHEMBL27833260 | 0.73 | TSHR (0.66) | TSHRGABRA1GABRB2POLBPTPN2 | |
| SCHEMBL8002067 | 0.71 | POLB (0.44) | TSHRGABRA1GABRB2POLBKDM4E | |
| Catechol SCHEMBL11651447 | 0.70 | ALDH1A1 (0.48) | TSHRPOLBALDH1A1KDM4ESMN1; SMN2 | |
| Catechol SCHEMBL11555211 | 0.70 | ALDH1A1 (0.48) | TSHRPOLBALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL7998184 | 0.70 | TSHR (0.39) | TSHRGABRA1GABRB2POLBALDH1A1 |
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 |