Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9736974 | 0.86 | CYP1A2 (0.39) | CYP1A2CYP2A6KDM4EMAPTALDH1A1 | |
| SCHEMBL9015179 | 0.79 | KDM4E (0.45) | CYP1A2CYP2A6KDM4EMAPTALDH1A1 | |
| SCHEMBL6088423 | 0.76 | ALDH1A1 (0.36) | CYP1A2CYP2A6KDM4EMAPTALDH1A1 | |
| SCHEMBL5763105 | 0.76 | KDM4E (0.33) | KDM4EMAPTALDH1A1NPC1S1PR4 | |
| SCHEMBL9015199 | 0.76 | ALOX15 (0.35) | CYP2A6KDM4EMAPTALDH1A1AHR | |
| SCHEMBL9015227 | 0.75 | KDM4E (0.39) | KDM4EMAPTALDH1A1NPC1S1PR4 | |
| SCHEMBL9015207 | 0.73 | CRHBP (0.49) | CYP1A2CYP2A6KDM4EMAPTALDH1A1 | |
| SCHEMBL7519550 | 0.72 | ATM (0.54) | CYP2A6KDM4EMAPTALDH1A1ACHE | |
| SCHEMBL9015186 | 0.72 | GPR3 (0.39) | CYP1A2KDM4ENPC1RAB9A | |
| SCHEMBL9015193 | 0.71 | CYP2A6 (0.47) | CYP2A6KDM4EMAPTALDH1A1NPC1 |
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-5508408-A | LEUKOTRIENE ANTAGONISTS | CIBA-GEIGY CORPORATION (US) | 1996-04-16 | — | — | US | disclosed |