Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | FBP1 | P09467 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16952609 | 0.85 | ALDH1A1 (0.36) | ERN1ALDH1A1TDP1VCAM1LMNA | |
| SCHEMBL16955163 | 0.85 | ERN1 (0.37) | ERN1ALDH1A1TDP1VCAM1LMNA | |
| SCHEMBL3237039 | 0.83 | ALDH1A1 (0.46) | ALDH1A1TDP1VCAM1LMNATSHR | |
| SCHEMBL9417632 | 0.81 | ERN1 (0.57) | ERN1ALDH1A1TDP1LMNABLM | |
| SCHEMBL9685505 | 0.79 | MAPT (0.37) | ALDH1A1TDP1VCAM1LMNAMEN1 | |
| SCHEMBL9685503 | 0.79 | MAPT (0.37) | ALDH1A1TDP1VCAM1LMNAMEN1 | |
| SCHEMBL622040 | 0.77 | GPR35 (0.53) | ALDH1A1TDP1VCAM1BLMTSHR | |
| SCHEMBL1344373 | 0.75 | TDP1 (0.64) | ALDH1A1TDP1VCAM1MEN1KMT2A | |
| SCHEMBL2875344 | 0.75 | VCAM1 (0.42) | ALDH1A1TDP1VCAM1LMNATSHR | |
| SCHEMBL6305 | 0.75 | VCAM1 (0.50) | ALDH1A1TDP1VCAM1LMNATSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118084772-A | Nilapatinib intermediate, preparation method and method for preparing Nilapatinib by using same | 重庆博腾制药科技股份有限公司 | 2024-05-28 | — | — | CN | disclosed |
| EP-0245053-B1 | HETEROCYCLIC FUSED TRICYCLIC COMPOUNDS | ICI AMERICAS INC. (US) | 1992-11-25 | — | — | EP | disclosed |
| US-5118688-A | TETRAHYDROPYRIDOQUINOLONE DERIVATIVES USEFUL AS ANXIOLYTIC AGENTS | ICI AMERICAS INC. (US) | 1992-06-02 | — | — | US | disclosed |
| US-4975435-A | Certain 1H-pyrrold[3,4-b]quinolin-1-one-9-amino-2,3-dihydro derivatives useful for treating anxiety | ICI AMERICAS INC. (US) | 1990-12-04 | — | — | US | disclosed |
| EP-0245053-A1 | Heterocyclic fused tricyclic compounds | ICI AMERICAS INC. (US) | 1987-11-11 | — | — | EP | disclosed |