Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ELANE | P08246 | 5/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | PBRM1 | Q86U86 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.40 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.40 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.40 |
| ▸ | CBFB | Q13951 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12501261 | 0.84 | PARP1 (0.50) | PARP1TDP1ELANEDHODHPBRM1 | |
| SCHEMBL9268529 | 0.84 | TDP1 (0.48) | PARP1TDP1ELANEDHODHMEN1 | |
| SCHEMBL29344431 | 0.81 | PARP1 (0.47) | PARP1TDP1ELANEDHODHPBRM1 | |
| SCHEMBL14842829 | 0.81 | PARP1 (0.47) | PARP1TDP1ELANEMEN1KMT2A | |
| SCHEMBL3337344 | 0.79 | PARP1 (0.44) | PARP1TDP1ELANEGRIN1GRIN2A | |
| SCHEMBL30013654 | 0.79 | PARP1 (0.44) | PARP1TDP1ELANEGRIN1GRIN2A | |
| SCHEMBL12169929 | 0.78 | KCNH2 (0.51) | TDP1ELANEDHODHMEN1KMT2A | |
| SCHEMBL3107938 | 0.74 | ALDH1A1 (0.49) | TDP1MEN1KMT2AALDH1A1POLB | |
| SCHEMBL4748400 | 0.73 | MAPT (0.52) | PARP1ELANEDHODHPBRM1MEN1 | |
| SCHEMBL9263229 | 0.73 | KMT2A (0.41) | PARP1TDP1ELANEKMT2AGRIN1 |
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-1230225-A2 | PHARMACEUTICALLY ACTIVE 4-SUBSTITUTED PYRIMIDINE DERIVATIVES | ELI LILLY AND COMPANY (US) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001032632-A2 | PHARMACEUTICALLY ACTIVE 4-SUBSTITUTED PYRIMIDINE DERIVATIVES | ELI LILLY AND COMPANY (US) | 2001-05-10 | — | — | WO | disclosed |