Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 11/20 | 0.39 |
| ▸ | KDR | P35968 | 11/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MPO | P05164 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL259114 | 0.89 | LMNA (0.49) | LMNACYP1A2CYP2D6HIF1ATDP1 | |
| SCHEMBL279627 | 0.74 | LMNA (0.51) | LMNACYP1A2CYP2D6HIF1ATDP1 | |
| SCHEMBL12765309 | 0.71 | LMNA (0.61) | LMNACYP1A2CYP2D6HIF1ATDP1 | |
| SCHEMBL5232780 | 0.71 | LMNA (0.34) | LMNACYP1A2CYP2D6HIF1ATDP1 | |
| SCHEMBL31506911 | 0.64 | LMNA (0.67) | LMNACYP1A2CYP2D6HIF1ATDP1 | |
| Todralazine SCHEMBL29673003 | 0.63 | LMNA (1.00) | LMNACYP1A2CYP2D6HIF1ATDP1 | |
| Todralazine SCHEMBL49644 | 0.63 | LMNA (1.00) | LMNACYP1A2CYP2D6HIF1ATDP1 | |
| Todralazine SCHEMBL211261 | 0.62 | TDP1 (1.00) | LMNACYP1A2CYP2D6HIF1ATDP1 | |
| Nicorandil SCHEMBL7617249 | 0.62 | KMT2A (0.69) | LMNACYP1A2CYP2D6TDP1ALDH1A1 | |
| Todralazine SCHEMBL1417412 | 0.62 | TDP1 (0.97) | LMNACYP1A2CYP2D6HIF1ATDP1 |
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-2005105065-A2 | THIAZOLE-BASED NITRIC OXIDE DONORS FOR TREATING INFLAMMATORY BOWEL DISEASES | RENOPHARM LTD. (IL) | 2005-11-10 | — | — | WO | disclosed |