Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL11996568 | 0.83 | TSHR (0.46) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL4388491 | 0.80 | TSHR (0.46) | TSHRCES2CES1MAPK1CYP1A2 | |
| SCHEMBL5551237 | 0.78 | TSHR (0.55) | TSHRCA12CA1CA2CA9 | |
| Ethane SCHEMBL5663955 | 0.77 | TSHR (0.53) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL13778109 | 0.77 | TSHR (0.40) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL28114560 | 0.76 | TSHR (0.58) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL11996648 | 0.76 | TSHR (0.48) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL11996560 | 0.76 | TSHR (0.48) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL8125623 | 0.74 | LMNA (0.41) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL8731749 | 0.74 | TSHR (0.64) | TSHRCYP1A2RAB9ASMN1; SMN2HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-7449509-B2 | Hole transport layer compositions and related diode devices | NORTHWESTERN UNIVERSITY (US) | 2008-11-11 | — | — | US | disclosed |