Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.32 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27818899 | 0.87 | MEN1 (0.35) | CYP1A2CYP2A6TSHRLMNAGABRA1 | |
| SCHEMBL8734575 | 0.79 | CYP1A2 (0.41) | CYP1A2CYP2A6TSHRLMNAGABRA1 | |
| SCHEMBL11652732 | 0.76 | CYP1A2 (0.35) | CYP1A2CYP2A6TSHRLMNAGABRA1 | |
| SCHEMBL894400 | 0.75 | GABRA1 (0.54) | CYP1A2CYP2A6TSHRLMNAGABRA1 | |
| SCHEMBL22081583 | 0.75 | CYP1A2 (0.38) | CYP1A2CYP2A6TSHRLMNAGABRA1 | |
| SCHEMBL326586 | 0.75 | GABRA1 (0.56) | CYP1A2CYP2A6TSHRLMNAGABRA1 | |
| SCHEMBL27988436 | 0.75 | CYP1A2 (0.38) | CYP1A2CYP2A6TSHRLMNAGABRA1 | |
| SCHEMBL7640017 | 0.73 | ALDH1A1 (0.32) | TSHRALDH1A1 | |
| SCHEMBL1547641 | 0.70 | CYP1A2 (0.43) | CYP1A2CYP2A6TSHRLMNAHSP90AA1 | |
| SCHEMBL20049740 | 0.70 | ALDH1A1 (0.32) | CYP1A2CYP2A6HSP90AA1MAPTALDH1A1 |
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-2002083749-A2 | METHOD FOR TRANSITION METAL-CATALYZED PRODUCTION OF AQUEOUS DISPERSIONS CONTAINING POLYOLEFINS OR VINYL AROMATIC POLYMERS | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-24 | — | — | WO | disclosed |