Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ACE | P12821 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2015772 | 1.00 | TSHR (0.50) | TSHRALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL27556826 | 0.86 | TSHR (0.51) | TSHRALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL6803690 | 0.86 | TSHR (0.51) | TSHRALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL25100758 | 0.86 | TSHR (0.51) | TSHRALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL20239092 | 0.85 | ATM (0.61) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL20239093 | 0.85 | ATM (0.61) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL15497675 | 0.84 | TSHR (0.50) | TSHRALDH1A1THRBCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL27714985 | 0.84 | ATM (0.60) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| Hydrochloric Acid SCHEMBL27714987 | 0.84 | ATM (0.60) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL5813004 | 0.83 | TACR1 (0.61) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011078782-A1 | A COMPOSITION COMPRISING OF MELPHALAN DERIVATIVES AND GEMCITABINE OR ETOPOSIDE USEFUL IN THE TREATMENT OF CANCER | ONCOPEPTIDES AB (SE) | 2011-06-30 | — | — | WO | claimed |
| CN-108096563-A | The lyophilized formulations of cytotoxicity dipeptides | 肿瘤多肽股份公司 | 2018-06-01 | — | — | CN | disclosed |
| WO-2011078782-A1 | A COMPOSITION COMPRISING OF MELPHALAN DERIVATIVES AND GEMCITABINE OR ETOPOSIDE USEFUL IN THE TREATMENT OF CANCER | ONCOPEPTIDES AB (SE) | 2011-06-30 | — | — | WO | disclosed |