Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 2/20 | 0.31 |
| ▸ | ACHE | P22303 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9015155 | 0.86 | CYP1A2 (0.35) | CYP1A2CYP2A6ATMKDM4EMAPT | |
| SCHEMBL9724136 | 0.80 | CYP2A6 (0.48) | CYP1A2CYP2A6ATMCA12CA1 | |
| SCHEMBL10168166 | 0.78 | CYP1A2 (0.40) | CYP1A2CYP2A6CA12CA1CA2 | |
| SCHEMBL17186135 | 0.77 | CYP2A6 (0.39) | CYP2A6ATMCA12CA1CA2 | |
| SCHEMBL15768408 | 0.77 | MEN1 (0.46) | CYP1A2ATMCA12CA1CA2 | |
| SCHEMBL9736952 | 0.77 | CYP2A6 (0.39) | CYP1A2CYP2A6ATMCA12CA1 | |
| SCHEMBL6090040 | 0.74 | ACHE (0.49) | CYP1A2CYP2A6CA12CA1CA2 | |
| SCHEMBL9015227 | 0.74 | KDM4E (0.39) | ATMKDM4EMAPTALDH1A1NPC1 | |
| SCHEMBL6754223 | 0.73 | PPM1A (0.38) | CYP1A2KDM4ENPC1RAB9A | |
| SCHEMBL9738051 | 0.72 | TSHR (0.46) | CA12CA1CA2CA9KDM4E |
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-5084463-A | Cardiovascular disorders | AMERICAN HOME PRODUCTS CORPORATION (US) | 1992-01-28 | — | — | US | disclosed |