Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.31 |
| ▸ | NPFFR2 | Q9Y5X5 | 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 | |
|---|---|---|---|---|
| SCHEMBL2522240 | 0.69 | ALDH1A1 (0.41) | CYP1A2CYP2A6ALDH1A1TSHRHPGD | |
| SCHEMBL19427080 | 0.67 | ALDH1A1 (0.42) | CYP1A2CYP2A6ALDH1A1TSHRACHE | |
| SCHEMBL29419432 | 0.67 | CYP2A6 (0.40) | CYP1A2CYP2A6ALDH1A1TSHRHPGD | |
| SCHEMBL9816096 | 0.67 | CYP2A6 (0.40) | CYP1A2CYP2A6ALDH1A1TSHRHPGD | |
| SCHEMBL21503937 | 0.67 | HPRT1 (0.42) | CYP1A2CYP2A6ALDH1A1LMNATSHR | |
| SCHEMBL27270292 | 0.64 | HPRT1 (0.40) | CYP1A2CYP2A6ALDH1A1LMNATSHR | |
| SCHEMBL18457226 | 0.62 | CYP1A2 (0.36) | CYP1A2CYP2A6ALDH1A1LMNATSHR | |
| SCHEMBL17533953 | 0.60 | CYP2A6 (0.37) | CYP1A2CYP2A6ALDH1A1TSHRHPGD | |
| SCHEMBL29447796 | 0.60 | CYP1A2 (1.00) | CYP1A2CYP2A6ALDH1A1HTTLMNA | |
| SCHEMBL161370 | 0.60 | CYP1A2 (1.00) | CYP1A2CYP2A6ALDH1A1HTTLMNA |
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-2020112672-A1 | BIOMARKERS PREDICTIVE OF CANCER CELL RESPONSE TO ML329 OR A DERIVATIVE THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2020-06-04 | — | — | WO | disclosed |