Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | PTGES | O14684 | 2/20 | 0.41 |
| ▸ | TOP2A | P11388 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 2/20 | 0.41 |
| ▸ | GALR2 | O43603 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7733831 | 0.82 | ALDH1A1 (0.49) | NPC1ALDH1A1TDP1LMNAPOLB | |
| SCHEMBL7734770 | 0.81 | PTPN1 (0.46) | PTPN1KDM4ENOD2PTGESTOP2A | |
| SCHEMBL3191778 | 0.80 | CA1 (0.56) | PTPN1KDM4EPTGESTOP2AMAPT | |
| SCHEMBL7734027 | 0.78 | PLK1 (0.43) | ESR1NPC1ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL3188229 | 0.78 | PPARA (0.59) | PTPN1ALDH1A1TDP1PTGESTOP2A | |
| SCHEMBL10364342 | 0.77 | NPC1 (0.52) | NPC1PTPN1ALDH1A1TDP1POLB | |
| SCHEMBL28816668 | 0.77 | KDM4E (0.45) | PTPN1ALDH1A1KDM4ENOD2PTGES | |
| SCHEMBL22773426 | 0.77 | HTT (0.49) | ALDH1A1TDP1AKR1B1SMN1; SMN2LMNA | |
| SCHEMBL7942876 | 0.75 | BID (0.62) | ALDH1A1KDM4ELMNAMAPTPPARA | |
| SCHEMBL9678240 | 0.75 | ESR1 (0.43) | ESR1ALDH1A1TDP1AKR1B1LMNA |
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-6399318-B1 | ANTIGEN WHICH IS CONJUGATE OF CARRIER PROTEIN AND PHTHALIC ACID ESTER OF DEFINED STRUCTURE; FOR DETECTION AND MEASUREMENT OF PLASTICIZERS IN ENVIRONMENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2002-06-04 | — | — | US | disclosed |