Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
| ▸ | UNG | P13051 | 1/20 | 0.38 |
| ▸ | TERT | O14746 | 1/20 | 0.38 |
| ▸ | ANXA2 | P07355 | 1/20 | 0.37 |
| ▸ | S100A10 | P60903 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29572439 | 1.00 | MAOA (0.46) | MAOAMAOBALDH1A1NFE2L2HDAC3 | |
| SCHEMBL6848984 | 0.87 | ALDH1A1 (0.47) | MAOAMAOBALDH1A1HDAC3HDAC4 | |
| SCHEMBL6852138 | 0.87 | ALDH1A1 (0.52) | MAOAMAOBALDH1A1HDAC3HDAC4 | |
| SCHEMBL31618073 | 0.85 | ALDH1A1 (0.52) | MAOAMAOBALDH1A1HDAC3HDAC4 | |
| SCHEMBL1681164 | 0.85 | ALDH1A1 (0.52) | MAOAMAOBALDH1A1HDAC3HDAC4 | |
| SCHEMBL5321387 | 0.82 | HSD17B10 (0.47) | MAOAMAOBALDH1A1HDAC3HDAC4 | |
| SCHEMBL2541321 | 0.82 | CYP2A6 (0.47) | MAOAMAOBALDH1A1NFE2L2HDAC3 | |
| SCHEMBL2244675 | 0.81 | ALDH1A1 (0.38) | MAOBALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL1465620 | 0.81 | ALDH1A1 (0.52) | ALDH1A1NFE2L2MEN1KMT2AMAPT | |
| SCHEMBL6255853 | 0.78 | NPC1 (0.52) | MAOBALDH1A1NFE2L2HDAC3HDAC4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110835335-B | 2, 5-diketopiperazine compound and application thereof in preparation of anti-cancer drugs | 深圳华大海洋科技有限公司 | 2022-04-15 | — | — | CN | disclosed |
| CN-110835335-A | 2, 5-diketopiperazine compound and application thereof in preparation of anti-cancer drugs | 青岛海洋生物医药研究院股份有限公司 | 2020-02-25 | — | — | CN | disclosed |
| WO-2009044147-A1 | INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES | ARGENTA DISCOVERY LIMITED (GB) | 2009-04-09 | — | — | WO | disclosed |
| EP-0636119-B1 | PHENYL SUBSTITUTED CYCLOALKYL HYDROXYUREA DERIVATIVES WHICH INHIBIT LIPOXYGENASE | PFIZER (US) | 1997-11-05 | — | — | EP | disclosed |
| EP-0736006-A1 | PHENYLTHIOPHENYL CYCLOALKENYL HYDROXYUREAS AS LIPOXYGENASE INHIBITORS | PFIZER INC. (US) | 1996-10-09 | — | — | EP | disclosed |
| WO-1995017379-A1 | PHENYLTHIOPHENYL CYCLOALKENYL HYDROXYUREAS AS LIPOXYGENASE INHIBITORS | PFIZER INC. (US) | 1995-06-29 | — | — | WO | disclosed |
| EP-0636119-A1 | PHENYL SUBSTITUTED CYCLOALKYL HYDROXYUREA DERIVATIVES WHICH INHIBIT LIPOXYGENASE | PFIZER INC. (US) | 1995-02-01 | — | — | EP | disclosed |
| WO-1993021149-A1 | PHENYL SUBSTITUTED CYCLOALKYL HYDROXYUREA DERIVATIVES WHICH INHIBIT LIPOXYGENASE | PFIZER INC. (US) | 1993-10-28 | — | — | WO | disclosed |