Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8658431 | 0.98 | NR4A2 (0.47) | NR4A2ADRA2CALDH1A1CYP2C19GAA | |
| SCHEMBL19248951 | 0.86 | HDAC3 (0.56) | NR4A2ADRA2CHDAC3HDAC4HDAC1 | |
| SCHEMBL11218379 | 0.86 | HDAC3 (0.56) | NR4A2ADRA2CHDAC3HDAC4HDAC1 | |
| SCHEMBL11115293 | 0.86 | HDAC1 (0.51) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7401269 | 0.84 | CYP1A2 (0.47) | ALDH1A1CYP2C19GAATDP1KMT2A | |
| SCHEMBL3657378 | 0.82 | ADRA2C (0.46) | ADRA2CALDH1A1CYP2C19HDAC3HDAC4 | |
| SCHEMBL28986867 | 0.81 | ALDH1A1 (0.50) | ADRA2CALDH1A1CYP2C19TDP1KMT2A | |
| SCHEMBL18670066 | 0.80 | ALDH1A1 (0.43) | NR4A2ADRA2CALDH1A1CYP2C19TDP1 | |
| Succinic Acid SCHEMBL27852517 | 0.80 | NR4A2 (0.57) | NR4A2ADRA2CALDH1A1CYP2C19GAA | |
| SCHEMBL13724448 | 0.79 | ADRA2C (0.47) | ADRA2CALDH1A1CYP2C19GAAHDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010072734-A2 | TARGETING PRODRUGS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES | THE PROVOST FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) | 2010-07-01 | — | — | WO | disclosed |
| CN-101503377-A | Preparation of balsalazide disodium | SHANXIN ANTER BIOLOG PHARMACY (CN) | 2009-08-12 | — | — | CN | disclosed |
| EP-0859607-B1 | GUANIDINO PROTEASE INHIBITORS | DIMENSIONAL PHARM INC (US) | 2002-12-18 | — | — | EP | disclosed |
| EP-0859607-A4 | GUANIDINO PROTEASE INHIBITORS | DIMENSIONAL PHARM INC (US) | 1999-05-06 | — | — | EP | disclosed |
| EP-0869944-A1 | N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-10-14 | — | — | EP | disclosed |
| EP-0859607-A1 | GUANIDINO PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1998-08-26 | — | — | EP | disclosed |
| US-5792769-A | POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1998-08-11 | — | — | US | disclosed |
| WO-1997011693-A1 | GUANIDINO PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1997-04-03 | — | — | WO | disclosed |