Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | EIF4E | P06730 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | IKBKB | O14920 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 2/20 | 0.41 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6981433 | 0.90 | ALDH1A1 (0.65) | ALDH1A1TDP1EIF4EMAPTHPGD | |
| Water SCHEMBL28773684 | 0.85 | ALDH1A1 (0.71) | ALDH1A1TDP1POLBMAPK1IKBKB | |
| SCHEMBL7821087 | 0.83 | ALDH1A1 (0.74) | ALDH1A1TDP1POLBMAPK1HTR7 | |
| SCHEMBL2961542 | 0.82 | KCNJ1 (0.55) | ALDH1A1POLBMAPK1KCNJ1KCNH2 | |
| SCHEMBL2958562 | 0.82 | ALDH1A1 (0.92) | ALDH1A1TDP1POLBMAPK1CRHBP | |
| Water SCHEMBL1828402 | 0.80 | ALDH1A1 (0.96) | ALDH1A1TDP1MAPK1HPGDCRHBP | |
| Biphenyl SCHEMBL7209601 | 0.80 | ALDH1A1 (0.96) | ALDH1A1TDP1MAPK1CRHBPKMT2A | |
| Water SCHEMBL2045405 | 0.80 | ALDH1A1 (0.96) | ALDH1A1TDP1MAPK1HPGDCRHBP | |
| Benzonitrile SCHEMBL27467965 | 0.78 | ALDH1A1 (0.60) | ALDH1A1TDP1POLBMAPK1ABCG2 | |
| SCHEMBL44392 | 0.78 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1CRHBPKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0888261-A1 | PROCESS FOR PREPARING NITROBIPHENYLENE | BASF AKTIENGESELLSCHAFT (DE) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997033846-A1 | PROCESS FOR PREPARING NITROBIPHENYLENE | BASF AKTIENGESELLSCHAFT (DE) | 1997-09-18 | — | — | WO | disclosed |