Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | MPO | P05164 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | QPCT | Q16769 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8794286 | 0.82 | ALDH1A1 (0.57) | ALDH1A1HPGDMPOKDM4EMAPK1 | |
| SCHEMBL8615574 | 0.81 | MAPK1 (0.48) | ALDH1A1HPGDMAPK1HSD17B10TSHR | |
| SCHEMBL8794106 | 0.79 | CNR2 (0.42) | ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6 | |
| SCHEMBL8793473 | 0.79 | ALDH1A1 (0.59) | ALDH1A1HPGDMPOKDM4EMAPK1 | |
| SCHEMBL5553139 | 0.77 | ALDH1A1 (0.71) | ALDH1A1HPGDMPOKDM4EMAPK1 | |
| SCHEMBL5112012 | 0.76 | ALDH1A1 (0.73) | ALDH1A1HPGDMPOKDM4EMAPK1 | |
| SCHEMBL8652560 | 0.74 | MPO (0.72) | ALDH1A1HPGDMPOKDM4EMAPK1 | |
| SCHEMBL6295501 | 0.74 | MPO (0.72) | ALDH1A1HPGDMPOKDM4EMAPK1 | |
| SCHEMBL9299411 | 0.74 | ALDH1A1 (0.66) | ALDH1A1HPGDMPOKDM4EMAPK1 | |
| SCHEMBL9400926 | 0.74 | TSHR (0.74) | ALDH1A1HPGDMPOMAPK1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0634401-B1 | MDR reversal agents | AMERICAN CYANAMID CO (US) | 1997-08-13 | — | — | EP | claimed |
| EP-0612729-B1 | Pyridine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-04-23 | — | — | EP | disclosed |
| US-5561147-A | ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-10-01 | — | — | US | disclosed |
| US-5457106-A | Antiinflammatory agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-10-10 | — | — | US | disclosed |
| US-5389658-A | Administering as antipyretic, antiinflammatory, analgesic, antiallergic, or immunosupressive agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-02-14 | — | — | US | disclosed |
| EP-0612729-A2 | Pyridine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1994-08-31 | — | — | EP | disclosed |
| US-5246948-A | Antiinflammatory, antipyretic, analgesic, antiallergic, immunosupressing or immunomodulating activity | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-09-21 | — | — | US | disclosed |
| EP-0522606-A2 | Pyridine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-01-13 | — | — | EP | disclosed |