Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | MME | P08473 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 4/20 | 0.40 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CTSC | P53634 | 3/20 | 0.38 |
| ▸ | CTSL | P07711 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13536393 | 1.00 | MCL1 (0.43) | MCL1MMEHPGDCTSSCTSK | |
| SCHEMBL2059348 | 1.00 | MCL1 (0.43) | MCL1MMEHPGDCTSSCTSK | |
| SCHEMBL2437662 | 0.88 | MAOB (0.54) | MAOB | |
| SCHEMBL2435474 | 0.85 | CTSL (0.42) | MMECTSSCTSKCTSLCTSB | |
| SCHEMBL15867239 | 0.84 | MAOB (0.44) | MCL1MMEHPGDCTSSCTSK | |
| SCHEMBL8239573 | 0.83 | ALDH1A1 (0.51) | MCL1MMEHPGDCTSSCTSK | |
| SCHEMBL6330627 | 0.80 | CPA1 (0.45) | HPGDALDH1A1CYP1A2KMT2AMEN1 | |
| SCHEMBL5169748 | 0.80 | ALDH1A1 (0.46) | HPGDALDH1A1CYP1A2KMT2AMEN1 | |
| SCHEMBL5169742 | 0.80 | ALDH1A1 (0.46) | HPGDALDH1A1CYP1A2KMT2AMEN1 | |
| SCHEMBL27686290 | 0.80 | CPA1 (0.45) | HPGDALDH1A1CYP1A2KMT2AMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101440091-B | Ritonavir water-soluble derivatives, synthesizing method and use thereof | UNIV XIAMEN | 2012-01-04 | — | — | CN | disclosed |
| US-7649015-B2 | Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2010-01-19 | — | — | US | disclosed |
| CN-101440091-A | Ritonavir water-soluble derivatives, synthesizing method and use thereof | UNIV XIAMEN (CN) | 2009-05-27 | — | — | CN | disclosed |
| EP-0729941-B1 | Process for producing keto nitrile derivative and hexenone derivative | TAKASAGO PERFUMERY CO LTD (JP) | 2001-06-13 | — | — | EP | disclosed |