Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | LPAR3 | Q9UBY5 | 4/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.34 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.30 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6258081 | 0.81 | TDP1 (0.32) | TDP1LPAR3LPAR1LPAR2S1PR1 | |
| SCHEMBL6263273 | 0.71 | SLC6A3 (0.35) | SLC6A3FBP1 | |
| SCHEMBL30716745 | 0.69 | TDP1 (0.37) | TDP1LPAR3LPAR1LPAR2MAPT | |
| SCHEMBL6258088 | 0.69 | SMN1; SMN2 (0.54) | MAPTMAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6263275 | 0.68 | APLNR (0.34) | FBP1 | |
| SCHEMBL5165127 | 0.67 | TDP1 (0.39) | TDP1LPAR3LPAR1LPAR2FBP1 | |
| SCHEMBL11458947 | 0.66 | NOS1 (0.39) | SLC6A3NOS1 | |
| SCHEMBL459428 | 0.66 | ALDH1A1 (0.50) | TDP1MAPTKDM4E | |
| SCHEMBL5898085 | 0.65 | — | — | |
| SCHEMBL13395489 | 0.65 | S1PR1 (0.46) | S1PR4S1PR1S1PR3S1PR5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005080406-A2 | COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2005-09-01 | — | — | WO | claimed |
| WO-2005080406-A2 | COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2005-09-01 | — | — | WO | disclosed |