Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CTDSP1 | Q9GZU7 | 2/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27576770 | 0.91 | TSHR (0.63) | TSHRLMNAMAPTSMN1; SMN2NPC1 | |
| 3-Nitro-Phenol SCHEMBL27956536 | 0.91 | TSHR (0.63) | TSHRLMNAMAPTSMN1; SMN2NPC1 | |
| Nitrobenzene SCHEMBL27619171 | 0.89 | ALDH1A1 (0.53) | TSHRLMNAMAPTSMN1; SMN2NPC1 | |
| SCHEMBL28090568 | 0.86 | TSHR (0.55) | TSHRMAPTSMN1; SMN2NPC1RAB9A | |
| 2,4-Dinitrophenol SCHEMBL28659816 | 0.81 | MAPK1 (0.64) | TSHRLMNAMAPTSMN1; SMN2ALDH1A1 | |
| Dinitrophenylene SCHEMBL27709667 | 0.81 | TSHR (0.71) | TSHRLMNAMAPTSMN1; SMN2CES2 | |
| Dinitrophenylene SCHEMBL27538648 | 0.80 | TSHR (0.77) | TSHRLMNAMAPTSMN1; SMN2CES2 | |
| SCHEMBL30822838 | 0.79 | MAPT (0.62) | TSHRLMNAMAPTSMN1; SMN2NPC1 | |
| SCHEMBL4746148 | 0.79 | MAPT (0.62) | TSHRLMNAMAPTSMN1; SMN2NPC1 | |
| SCHEMBL6680006 | 0.77 | PTPRC (0.54) | TSHRLMNAMAPTSMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108884050-A | Tetrahydroisoquinoline derivatives | UCB生物制药私人有限公司 | 2018-11-23 | — | — | CN | disclosed |