Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.55 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | METAP2 | P50579 | 2/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL347122 | 0.75 | CA12 (0.60) | AHRCYP2A6NR4A2CYP19A1NOS1 | |
| SCHEMBL3067335 | 0.75 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2AKDM4EMAPT | |
| SCHEMBL11471492 | 0.75 | F11 (0.60) | AHRCYP2A6NR4A2ALDH1A1CYP19A1 | |
| SCHEMBL11461336 | 0.75 | CA12 (0.60) | CYP2A6ALDH1A1RXFP1KDM4EMAPT | |
| SCHEMBL2486296 | 0.74 | CYP19A1 (0.53) | AHRCYP2A6NR4A2ALDH1A1CYP19A1 | |
| SCHEMBL17433444 | 0.73 | CYP19A1 (0.62) | AHRCYP2A6NR4A2CYP19A1NOS1 | |
| SCHEMBL74304 | 0.71 | AHR (1.00) | AHRCYP2A6NR4A2NOS1METAP2 | |
| SCHEMBL17422783 | 0.71 | CYP19A1 (0.71) | AHRCYP2A6NR4A2CYP19A1NOS1 | |
| SCHEMBL21812417 | 0.71 | CYP19A1 (0.55) | AHRCYP2A6NR4A2ALDH1A1CYP19A1 | |
| SCHEMBL17422802 | 0.71 | CYP19A1 (0.46) | AHRCYP2A6NR4A2CYP19A1NOS1 |
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-2007084135-A9 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO INC (US) | 2007-10-11 | — | — | WO | disclosed |