Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.50 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.47 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.47 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 7/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Dinitrophenylene SCHEMBL27328531 | 0.84 | ALDH1A1 (0.59) | RXRATNNI3TNNT2TNNC1MAPT | |
| SCHEMBL9407254 | 0.83 | RXRA (0.59) | RXRATNNI3TNNT2TNNC1MAPT | |
| Benzaldehyde SCHEMBL6566918 | 0.80 | ALDH1A1 (0.56) | RXRAALDH1A1KMT2AMEN1LMNA | |
| SCHEMBL17553047 | 0.80 | ERN1 (0.51) | RXRATNNI3TNNT2TNNC1MAPT | |
| SCHEMBL4872775 | 0.80 | ERN1 (0.51) | RXRATNNI3TNNT2TNNC1MAPT | |
| Benzaldehyde SCHEMBL4022100 | 0.78 | ALDH1A1 (0.60) | MAPTALDH1A1KMT2AMEN1SMN1; SMN2 | |
| Salicyladehyde SCHEMBL11796643 | 0.78 | ERN1 (0.58) | MAPTALDH1A1KMT2AMEN1NPC1 | |
| SCHEMBL9005 | 0.78 | MEN1 (0.57) | RXRAALDH1A1KMT2AMEN1LMNA | |
| SCHEMBL35849993 | 0.78 | MEN1 (0.57) | RXRAALDH1A1KMT2AMEN1LMNA | |
| SCHEMBL1157 | 0.78 | APP (0.61) | MAPTALDH1A1LMNACYP19A1NPC1 |
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-1214330-A1 | BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001021634-A1 | BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-03-29 | — | — | WO | disclosed |