Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.43 |
| ▸ | ABL1 | P00519 | 2/20 | 0.43 |
| ▸ | IDE | P14735 | 2/20 | 0.43 |
| ▸ | RIN1 | Q13671 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HLCS | P50747 | 6/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.33 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18924547 | 0.88 | TDP1 (0.56) | TDP1ABL1IDERIN1MEN1 | |
| SCHEMBL29598 | 0.88 | TDP1 (0.56) | TDP1ABL1IDERIN1MEN1 | |
| SCHEMBL30508570 | 0.88 | TDP1 (0.56) | TDP1ABL1IDERIN1MEN1 | |
| SCHEMBL14562968 | 0.88 | TDP1 (0.56) | TDP1ABL1IDERIN1MEN1 | |
| SCHEMBL17752940 | 0.88 | TDP1 (0.56) | TDP1ABL1IDERIN1MEN1 | |
| SCHEMBL10171650 | 0.88 | TDP1 (0.56) | TDP1ABL1IDERIN1MEN1 | |
| SCHEMBL17761083 | 0.82 | TDP1 (0.45) | TDP1ABL1IDERIN1MEN1 | |
| SCHEMBL21488894 | 0.78 | TDP1 (0.58) | TDP1ABL1IDERIN1MEN1 | |
| SCHEMBL21516801 | 0.78 | TDP1 (0.58) | TDP1ABL1IDERIN1MEN1 | |
| SCHEMBL21517145 | 0.78 | TDP1 (0.58) | TDP1ABL1IDERIN1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8849577-B2 | Methods of identifying biochemical pathways | METABOLON, INC. (US) | 2014-09-30 | — | — | US | disclosed |
| US-20080161228-A1 | Using metabolomics to expedite drug discovery and development; invention provides means to select and advance most selective lead compounds from series of candidates based on metabolomic profiles which contain data regarding both expected or intended (e.g., on-target) and unexpected effects of compounds | METABOLON INC. (US) | 2008-07-03 | — | — | US | disclosed |