Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.65 |
| ▸ | ATM | Q13315 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | ANPEP | P15144 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL18435148 | 1.00 | POLB (0.65) | POLBATMALDH1A1THRBCYP2C9 | |
| SCHEMBL24925125 | 0.89 | MMP8 (0.57) | POLBATMALDH1A1L3MBTL1TSHR | |
| SCHEMBL656070 | 0.89 | MMP8 (0.57) | POLBATMALDH1A1L3MBTL1TSHR | |
| SCHEMBL25794712 | 0.87 | POLB (0.51) | POLBATMALDH1A1THRBCYP2C9 | |
| SCHEMBL7392765 | 0.87 | POLB (0.70) | POLBATMALDH1A1THRBCYP2C9 | |
| SCHEMBL9003236 | 0.87 | POLB (0.70) | POLBATMALDH1A1THRBCYP2C9 | |
| SCHEMBL20394526 | 0.87 | TACR1 (0.56) | POLBATMALDH1A1 | |
| SCHEMBL20394525 | 0.87 | TACR1 (0.56) | POLBATMALDH1A1 | |
| SCHEMBL7237658 | 0.87 | ESR1 (0.59) | POLBATMALDH1A1TSHRKMT2A | |
| SCHEMBL19647162 | 0.87 | ALDH1A1 (0.62) | POLBATMALDH1A1THRBCYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2861581-B9 | 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. | BRISTOL MYERS SQUIBB CO (US) | 2017-08-30 | — | — | EP | disclosed |
| US-8889712-B2 | IAP antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-11-18 | — | — | US | disclosed |
| WO-2002083606-A1 | A LINKER SYSTEM FOR THE SYNTHESIS AND SCREENING OF COMBINATORIAL LIBRARIES OF POLYAMINE DERIVATIVES ON WATER COMPATIBLE SUPPORTS | UNIVERSITY OF ALBERTA (CA) | 2002-10-24 | — | — | WO | disclosed |