Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TK1 | P04183 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | TK2 | O00142 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL439722 | 0.92 | TK1 (0.66) | TK1LMNASMN1; SMN2TK2CYP1A2 | |
| SCHEMBL20750697 | 0.92 | TK1 (0.66) | TK1LMNASMN1; SMN2TK2CYP1A2 | |
| SCHEMBL6272364 | 0.92 | TK1 (0.66) | TK1LMNASMN1; SMN2TK2CYP1A2 | |
| SCHEMBL6272366 | 0.92 | TK1 (0.66) | TK1LMNASMN1; SMN2TK2CYP1A2 | |
| SCHEMBL439723 | 0.92 | TK1 (0.66) | TK1LMNASMN1; SMN2TK2CYP1A2 | |
| Water SCHEMBL9633588 | 0.91 | TK1 (0.65) | TK1LMNASMN1; SMN2TK2CYP1A2 | |
| Water SCHEMBL9633592 | 0.91 | TK1 (0.65) | TK1LMNASMN1; SMN2TK2CYP1A2 | |
| SCHEMBL3345587 | 0.86 | TYMS (0.66) | — | |
| SCHEMBL24404677 | 0.85 | TYMS (0.52) | — | |
| SCHEMBL10593933 | 0.85 | TK1 (0.50) | TK1TK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6355785-B1 | ENZYME INHIBITORS | ARONEX PHARMACEUTICALS, INC. | 2002-03-12 | — | — | US | claimed |