Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | TSHR | P16473 | 4/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.49 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7734047 | 1.00 | ALDH1A1 (0.61) | ALDH1A1TSHRLMNANPC1MAPT | |
| SCHEMBL27725702 | 0.96 | ALDH1A1 (0.67) | ALDH1A1TSHRLMNANPC1MAPT | |
| SCHEMBL27826313 | 0.96 | ALDH1A1 (0.67) | ALDH1A1TSHRLMNANPC1MAPT | |
| SCHEMBL7734044 | 0.90 | TSHR (0.65) | ALDH1A1TSHRLMNANPC1MAPT | |
| SCHEMBL2888716 | 0.87 | TSHR (0.60) | ALDH1A1TSHRLMNANPC1MAPT | |
| SCHEMBL6362627 | 0.86 | ALDH1A1 (0.69) | ALDH1A1TSHRLMNANPC1MAPT | |
| SCHEMBL22773392 | 0.86 | ALDH1A1 (0.69) | ALDH1A1TSHRLMNANPC1MAPT | |
| SCHEMBL12774710 | 0.86 | ALDH1A1 (0.69) | ALDH1A1TSHRLMNANPC1MAPT | |
| SCHEMBL6362319 | 0.86 | ALDH1A1 (0.69) | ALDH1A1TSHRLMNANPC1MAPT | |
| SCHEMBL13124103 | 0.86 | ALDH1A1 (0.69) | ALDH1A1TSHRLMNANPC1MAPT |
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 |