Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Isoquinoline SCHEMBL6257055 | 0.81 | HTT (0.44) | ALDH1A1CYP1A2KDM4EHTTMAPT | |
| Biphenyl SCHEMBL27433633 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP1A2KDM4ETSHRTP53 | |
| O-Xylene SCHEMBL27880864 | 0.80 | TSHR (0.56) | ALDH1A1CYP2A6CYP1A2TDP1CA1 | |
| Toluene SCHEMBL9712043 | 0.78 | TSHR (0.58) | ALDH1A1CYP2A6ALOX12TDP1TSHR | |
| Naphthalene SCHEMBL1899277 | 0.78 | CYP2A6 (0.57) | ALDH1A1CYP2A6ALOX12CYP1A2TDP1 | |
| Benzene SCHEMBL3889416 | 0.77 | ALDH1A1 (0.75) | ALDH1A1TDP1TSHRTP53HTT | |
| Naphthalene SCHEMBL11774251 | 0.77 | CYP2A6 (0.67) | ALDH1A1CYP2A6ALOX12CYP1A2TDP1 | |
| Naphthalene SCHEMBL27481041 | 0.77 | CYP2A6 (0.47) | ALDH1A1CYP2A6ALOX12CYP1A2TDP1 | |
| Aniline SCHEMBL11064117 | 0.76 | TSHR (0.55) | ALDH1A1ALOX12CYP1A2TDP1KDM4E | |
| Ethylbenzene SCHEMBL27561282 | 0.76 | TP53 (0.70) | ALDH1A1CYP2A6CYP1A2KDM4ETP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1128874-C | Rhodococcus sp.D12 and its culture method and application | SHANGHAI INST ORGANIC CHEM (CN) | 2003-11-26 | — | — | CN | disclosed |
| CN-1291648-A | Rhodococcus sp.D12 and its culture method and application | SHANGHAI INST ORGANIC CHEM (CN) | 2001-04-18 | — | — | CN | disclosed |