Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.43 |
| ▸ | EIF4E | P06730 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2954856 | 0.92 | ALDH1A1 (0.71) | TDP1ALDH1A1HPRT1HSD17B10MAOB | |
| SCHEMBL2331432 | 0.92 | TDP1 (0.71) | TDP1ALDH1A1PTGS2HSD17B10ADAMTS4 | |
| Pyrrole SCHEMBL28883522 | 0.83 | ALDH1A1 (0.59) | TDP1ALDH1A1HPRT1HSD17B10MAOB | |
| SCHEMBL9031419 | 0.82 | TDP1 (0.49) | TDP1ALDH1A1HPRT1PTGS2HSD17B10 | |
| SCHEMBL18419178 | 0.82 | HPRT1 (0.58) | TDP1ALDH1A1HPRT1HSD17B10MAOB | |
| SCHEMBL8329482 | 0.78 | L3MBTL1 (0.58) | TDP1ALDH1A1HPRT1PTGS2HSD17B10 | |
| SCHEMBL2958562 | 0.77 | ALDH1A1 (0.92) | TDP1ALDH1A1HPRT1HSD17B10ADAMTS4 | |
| SCHEMBL30196067 | 0.77 | ALDH1A1 (1.00) | TDP1ALDH1A1HSD17B10ADAMTS4MEN1 | |
| SCHEMBL44392 | 0.77 | ALDH1A1 (1.00) | TDP1ALDH1A1HSD17B10ADAMTS4MEN1 | |
| Benzene SCHEMBL28038982 | 0.77 | ALDH1A1 (1.00) | TDP1ALDH1A1HSD17B10ADAMTS4MEN1 |
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 |