Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11762652 | 0.91 | CYP2A6 (0.59) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL11760721 | 0.89 | CYP1A2 (0.38) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL4449680 | 0.76 | MEN1 (0.36) | CYP1A2CYP2A6SIGMAR1TP53CYP3A4 | |
| SCHEMBL11762648 | 0.75 | CYP1A2 (0.46) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL11763961 | 0.73 | HTR2A (0.42) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL11760538 | 0.72 | CYP1A2 (0.43) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL11759833 | 0.70 | IDO1 (0.48) | CYP1A2CYP2A6LMNATP53MAPT | |
| SCHEMBL26498768 | 0.70 | TRPA1 (0.46) | — | |
| SCHEMBL9510685 | 0.70 | CYP1A2 (0.58) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL11761694 | 0.69 | CYP2A6 (0.61) | CYP1A2CYP2A6HTR2AHTR2CHTR2B |
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-4061681-A | Method for the preparation of mono- or poly [dialkyl or dicycloalkylphosphonylmethyl] aromatic carbocyclic compounds | AMERICAN CYANAMID COMPANY (US) | 1977-12-06 | — | — | US | disclosed |