Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRK2 | P25098 | 2/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | FABP4 | P15090 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA4 | P22748 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ABAT | P80404 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5287712 | 0.88 | GRK2 (0.50) | GRK2AKR1C3FABP4CA12CA1 | |
| SCHEMBL340537 | 0.76 | AKR1C3 (0.55) | AKR1C3FABP4CA12CA1CA2 | |
| SCHEMBL24137508 | 0.73 | ERCC1 (0.63) | GRK2GRIK1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL23121180 | 0.72 | KMT2A (0.49) | GRK2AKR1C3CA12CA1CA2 | |
| SCHEMBL14574944 | 0.72 | PARP1 (0.48) | PARP1CA12CA1CA2CA9 | |
| SCHEMBL30095424 | 0.72 | ABAT (0.50) | AKR1C3FABP4MEN1KMT2AABAT | |
| SCHEMBL41828 | 0.72 | ABAT (0.53) | AKR1C3MEN1KMT2AABATALDH1A1 | |
| Hydrochloric Acid SCHEMBL3069393 | 0.72 | ABAT (0.53) | AKR1C3MEN1KMT2AABATALDH1A1 | |
| SCHEMBL1330698 | 0.72 | ABAT (0.53) | AKR1C3MEN1KMT2AABATALDH1A1 | |
| SCHEMBL7785939 | 0.72 | ABAT (0.53) | AKR1C3MEN1KMT2AABATALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0923287-A4 | NONCLASSICAL PYRROLO 2,3-D]PYRIMIDINE ANTIFOLATES | LILLY CO ELI (US) | 2001-08-01 | — | — | EP | disclosed |
| EP-0923287-A1 | NONCLASSICAL PYRROLO 2,3-D]PYRIMIDINE ANTIFOLATES | ELI LILLY AND COMPANY (US) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998008382-A1 | NONCLASSICAL PYRROLO[2,3-D]PYRIMIDINE ANTIFOLATES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |