Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | TYMP | P19971 | 2/20 | 0.35 |
| ▸ | GCGR | P47871 | 5/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | TACR2 | P21452 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9503366 | 1.00 | TSHR (0.36) | TSHRTHRBTYMPGCGRCYP19A1 | |
| SCHEMBL9503325 | 1.00 | TSHR (0.36) | TSHRTHRBTYMPGCGRCYP19A1 | |
| SCHEMBL10336354 | 1.00 | TSHR (0.36) | TSHRTHRBTYMPGCGRCYP19A1 | |
| SCHEMBL9506529 | 0.98 | CYP19A1 (0.35) | TSHRTHRBTYMPGCGRCYP19A1 | |
| SCHEMBL28164639 | 0.93 | TSHR (0.42) | TSHRTHRBTYMPCYP19A1ESR1 | |
| SCHEMBL1687611 | 0.93 | TSHR (0.42) | TSHRTHRBTYMPCYP19A1ESR1 | |
| SCHEMBL9503180 | 0.91 | NPC1 (0.35) | TYMPGCGRHTT | |
| SCHEMBL10446746 | 0.91 | CYP19A1 (0.38) | TSHRTHRBTYMPGCGRCYP19A1 | |
| Hexane SCHEMBL27851252 | 0.91 | CYP19A1 (0.38) | TSHRTHRBTYMPGCGRCYP19A1 | |
| SCHEMBL27299525 | 0.88 | TSHR (0.42) | TSHRTHRBTYMPCYP19A1ESR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0364548-B1 | OCTAFLUOROBIPHENYLS | MERCK PATENT GmbH (DE) | 1993-06-09 | — | — | EP | disclosed |