Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | COMT | P21964 | 5/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | METAP1 | P53582 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | CKS1B | P61024 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7258042 | 0.87 | TDP1 (0.46) | TDP1ALDH1A1HTTKDM4ESMN1; SMN2 | |
| SCHEMBL27862896 | 0.84 | TDP1 (0.48) | TDP1ALDH1A1HTTKDM4ESMN1; SMN2 | |
| SCHEMBL13812899 | 0.82 | TDP1 (0.45) | TDP1ALDH1A1HTTKDM4ESMN1; SMN2 | |
| SCHEMBL14313470 | 0.81 | TDP1 (0.44) | TDP1ALDH1A1HTTKDM4ESMN1; SMN2 | |
| SCHEMBL14287856 | 0.80 | TDP1 (0.40) | TDP1ALDH1A1HTTKDM4ESMN1; SMN2 | |
| SCHEMBL967038 | 0.80 | TDP1 (0.43) | TDP1ALDH1A1HTTKDM4ESMN1; SMN2 | |
| SCHEMBL1654006 | 0.79 | COMT (0.37) | TDP1ALDH1A1HTTKDM4ESMN1; SMN2 | |
| SCHEMBL14313454 | 0.78 | TDP1 (0.42) | TDP1ALDH1A1HTTKDM4ESMN1; SMN2 | |
| SCHEMBL4769364 | 0.76 | TDP1 (0.40) | TDP1ALDH1A1HTTKDM4ESMN1; SMN2 | |
| SCHEMBL14287858 | 0.76 | TDP1 (0.40) | TDP1ALDH1A1HTTKDM4ESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003077857-A2 | N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | disclosed |