Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28450705 | 0.80 | MAPT (0.52) | LMNAMEN1POLBKMT2ACES2 | |
| SCHEMBL2440560 | 0.80 | CA1 (0.61) | MEN1KMT2ATDP1MAPTRAB9A | |
| SCHEMBL2601260 | 0.80 | CA1 (0.61) | LMNACYP3A4PKMTDP1CES2 | |
| SCHEMBL4587615 | 0.80 | CA1 (0.56) | KMT2ACES2CES1TSHRALDH1A1 | |
| SCHEMBL3757531 | 0.80 | CES2 (0.65) | LMNAMEN1PKMKMT2ATDP1 | |
| SCHEMBL11034230 | 0.79 | MAPT (0.48) | LMNACYP1A2CYP3A4MAOAMEN1 | |
| SCHEMBL20013249 | 0.79 | LMNA (0.44) | LMNACYP1A2CYP3A4MAOAMEN1 | |
| SCHEMBL4735784 | 0.79 | CYP2C9 (0.47) | LMNAMEN1KMT2ACES2CES1 | |
| SCHEMBL836180 | 0.78 | CES2 (0.62) | LMNACYP1A2MEN1KMT2ACES2 | |
| SCHEMBL1943728 | 0.78 | HPGD (0.56) | KMT2ACES2CES1PARP10MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997021666-A1 | ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS | GLAXO GROUP LIMITED (GB) | 1997-06-19 | — | — | WO | disclosed |