Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TYMS | P04818 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.31 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | CCR1 | P32246 | 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 | |
|---|---|---|---|---|
| SCHEMBL293609 | 0.79 | CYP2A6 (0.41) | CYP2A6KMT2AALDH1A1KDM4EPOLB | |
| SCHEMBL9467464 | 0.76 | NISCH (0.39) | CYP2A6CYP1A2ATMALDH1A1KDM4E | |
| SCHEMBL7853519 | 0.72 | NOTUM (0.40) | TSHRIDO1 | |
| SCHEMBL9466201 | 0.71 | CYP1A2 (0.45) | CYP1A2ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL29494605 | 0.69 | CYP2A6 (1.00) | CYP2A6CYP1A2KMT2AATMTYMS | |
| SCHEMBL2473555 | 0.69 | CYP2A6 (1.00) | CYP2A6CYP1A2KMT2AATMTYMS | |
| SCHEMBL9465431 | 0.68 | MIF (0.38) | — | |
| SCHEMBL5602065 | 0.67 | NPC1 (0.41) | CYP1A2KMT2AALDH1A1KDM4ETSHR | |
| SCHEMBL1854697 | 0.67 | ALDH1A1 (0.36) | KMT2AALDH1A1KDM4EIDO1L3MBTL1 | |
| SCHEMBL9465269 | 0.66 | CDK2 (0.46) | CYP1A2ALDH1A1KDM4EMAPTTSHR |
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-5246914-A | Fungicides and plant growth regulators | BASF AKTIENGESELLSCHAFT (DE) | 1993-09-21 | — | — | US | disclosed |