Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.55 |
| ▸ | EGFR | P00533 | 2/20 | 0.53 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.53 |
| ▸ | GSK3B | P49841 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6199282 | 1.00 | PTPN1 (0.55) | PTPN1EGFRERBB2GSK3BRAB9A | |
| SCHEMBL8584136 | 0.90 | GSK3B (0.61) | GSK3BRAB9ANPC1MAPTHDAC3 | |
| SCHEMBL29985867 | 0.90 | GSK3B (0.61) | GSK3BRAB9ANPC1MAPTHDAC3 | |
| SCHEMBL6201900 | 0.90 | RAB9A (0.59) | PTPN1RAB9ANPC1MAPTLMNA | |
| SCHEMBL7854876 | 0.83 | NPC1 (0.68) | PTPN1GSK3BRAB9ANPC1MAPT | |
| SCHEMBL5724883 | 0.83 | RAB9A (0.68) | PTPN1RAB9ANPC1MAPTALDH1A1 | |
| SCHEMBL8044783 | 0.83 | NPC1 (0.68) | PTPN1GSK3BRAB9ANPC1MAPT | |
| SCHEMBL7167952 | 0.83 | SRD5A2 (0.62) | PTPN1RAB9ANPC1MAPTALDH1A1 | |
| SCHEMBL20262696 | 0.82 | NPC1 (0.56) | PTPN1GSK3BRAB9ANPC1HDAC1 | |
| Ethylene SCHEMBL10765273 | 0.82 | LMNA (0.41) | PTPN1EGFRERBB2MAPTALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |
| CN-1681763-A | Chemical compounds | ASTRAZENECA AB (SE) | 2005-10-12 | — | — | CN | disclosed |
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | disclosed |
| CN-86105597-A | Make the method for novel pyrazoline compounds | — | 1987-02-25 | — | — | CN | disclosed |
| EP-0207728-A2 | Novel pyrazoline compounds, process for production thereof, and insecticides containing them as active ingredients | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1987-01-07 | — | — | EP | disclosed |