Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.36 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8077519 | 1.00 | TSHR (0.48) | TSHRMAPTABCC4ALDH1A1LMNA | |
| SCHEMBL8005897 | 1.00 | TSHR (0.48) | TSHRMAPTABCC4ALDH1A1LMNA | |
| SCHEMBL1118622 | 1.00 | TSHR (0.48) | TSHRMAPTABCC4ALDH1A1LMNA | |
| SCHEMBL1607801 | 0.98 | TSHR (0.44) | TSHRMAPTABCC4ALDH1A1LMNA | |
| SCHEMBL1118529 | 0.98 | TSHR (0.44) | TSHRMAPTABCC4ALDH1A1LMNA | |
| SCHEMBL7819862 | 0.90 | — | — | |
| SCHEMBL19644547 | 0.80 | TSHR (0.46) | TSHRMAPTABCC4ALDH1A1LMNA | |
| SCHEMBL20972793 | 0.80 | TSHR (0.46) | TSHRMAPTABCC4ALDH1A1LMNA | |
| SCHEMBL6601699 | 0.79 | — | — | |
| SCHEMBL9185106 | 0.79 | ALDH1A1 (0.50) | TSHRALDH1A1LMNATP53USP2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6121270-A | N-(EPOXYALKYL)XANTHINE DERIVATIVES WHICH MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI | CELL THERAPEUTICS, INC. (US) | 2000-09-19 | — | — | US | disclosed |
| US-5866576-A | COMPOUNDS THAT ACT AS DRUGS ON THE CELLULAR AND BIOCHEMICAL LEVEL TO MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI. | CELL THERAPEUTICS, INC. (US) | 1999-02-02 | — | — | US | disclosed |
| US-5770595-A | Oxime substituted therapeutic compounds | CELL THERAPEUTICS, INC. (US) | 1998-06-23 | — | — | US | disclosed |
| US-5521315-A | Olefin substituted long chain compounds | CELL THERAPEUTICS, INC. (US) | 1996-05-28 | — | — | US | disclosed |
| EP-0662834-A4 | NOVEL EPOXIDE-CONTAINING COMPOUNDS. | CELL THERAPEUTICS INC (US) | 1996-04-17 | — | — | EP | disclosed |
| EP-0697873-A4 | — | — | 1996-04-03 | — | — | EP | disclosed |
| EP-0697873-A1 | OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS | CELL THERAPEUTICS, INC. (US) | 1996-02-28 | — | — | EP | disclosed |
| EP-0662834-A1 | NOVEL EPOXIDE-CONTAINING COMPOUNDS | CELL THERAPEUTICS, INC. (US) | 1995-07-19 | — | — | EP | disclosed |
| WO-1994016704-A1 | OXIME-SUBSTITUTED THERAPEUTIC COMPOUNDS | CELL THERAPEUTICS, INC. (US) | 1994-08-04 | — | — | WO | disclosed |
| WO-1994015606-A1 | OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS | CELL THERAPEUTICS, INC. (US) | 1994-07-21 | — | — | WO | disclosed |
| WO-1994006431-A1 | NOVEL EPOXIDE-CONTAINING COMPOUNDS | CELL THERAPEUTICS, INC. (US) | 1994-03-31 | — | — | WO | disclosed |