Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
| ▸ | FNTB | P49356 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL331007 | 0.92 | TSHR (0.57) | TSHRCES1CES2AKR1B1CYP1A2 | |
| SCHEMBL13197240 | 0.81 | POLB (0.45) | TSHRCES1CES2AKR1B1CYP1A2 | |
| SCHEMBL2625190 | 0.81 | LMNA (0.62) | TSHRCYP1A2KMT2AMEN1CYP2D6 | |
| SCHEMBL10137814 | 0.78 | CA2 (0.56) | TSHRAKR1B1POLBKMT2AMEN1 | |
| SCHEMBL107178 | 0.78 | TSHR (0.55) | TSHRCES1CES2AKR1B1CYP1A2 | |
| SCHEMBL21099952 | 0.78 | ITGA4 (0.48) | TSHRCES1CES2AKR1B1CYP1A2 | |
| SCHEMBL4725179 | 0.78 | TSHR (0.55) | TSHRCES1CES2AKR1B1CYP1A2 | |
| SCHEMBL12908027 | 0.77 | TSHR (0.50) | TSHRCES1CES2AKR1B1CYP1A2 | |
| SCHEMBL12267745 | 0.77 | PTGS2 (0.51) | ITGA4ITGB7 | |
| SCHEMBL14462168 | 0.77 | MAPT (0.48) | TSHRCYP1A2POLBKMT2AMEN1 |
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-4117014-A | PROSTAGLANDIN DERIVATIVES | ABBOTT LABORATORIES (US) | 1978-09-26 | — | — | US | disclosed |