Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | XDH | P47989 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 4/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9508150 | 0.94 | CA1 (0.55) | KDM4ENPSR1TSHRHPGDSMN1; SMN2 | |
| SCHEMBL69897 | 0.94 | CA1 (0.55) | KDM4ENPSR1TSHRHPGDSMN1; SMN2 | |
| SCHEMBL31083661 | 0.88 | KDM4E (0.53) | KDM4ENPSR1TSHRHPGDSMN1; SMN2 | |
| SCHEMBL31083639 | 0.88 | KDM4E (0.53) | KDM4ENPSR1TSHRHPGDSMN1; SMN2 | |
| SCHEMBL13450911 | 0.85 | TP53 (0.42) | KDM4ENPSR1HPGDSMN1; SMN2CA12 | |
| SCHEMBL13450912 | 0.84 | KDM4E (0.41) | KDM4ENPSR1TSHRHPGDSMN1; SMN2 | |
| SCHEMBL2762906 | 0.84 | NOTUM (0.43) | KDM4ENPSR1TSHRHPGDSMN1; SMN2 | |
| SCHEMBL2880869 | 0.82 | PTPRC (0.49) | KDM4ENPSR1TSHRHPGDSMN1; SMN2 | |
| SCHEMBL23648301 | 0.81 | TRPA1 (0.53) | KDM4ENPSR1TSHRHPGDSMN1; SMN2 | |
| SCHEMBL9495867 | 0.81 | ALOX5 (0.58) | KDM4ENPSR1TSHRHPGDSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0399293-B1 | PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE | BAYER AG (DE) | 1993-09-01 | — | — | EP | disclosed |
| US-5095157-A | Friedel-crafts catalyst | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-10 | — | — | US | disclosed |
| EP-0399293-A1 | Process for preparing 2-chloro-4-nitro-alkylbenzene | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |