Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | NAAA | Q02083 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL8966863 | 1.00 | KDM4E (0.47) | KDM4EALDH1A1PKMNAAATSHR | |
| SCHEMBL8966315 | 1.00 | KDM4E (0.47) | KDM4EALDH1A1PKMNAAATSHR | |
| SCHEMBL8967318 | 0.97 | NAAA (0.45) | KDM4EALDH1A1PKMNAAATSHR | |
| SCHEMBL8966742 | 0.97 | NAAA (0.45) | KDM4EALDH1A1PKMNAAATSHR | |
| SCHEMBL8966695 | 0.94 | NAAA (0.45) | KDM4EALDH1A1PKMNAAATSHR | |
| SCHEMBL9743357 | 0.90 | GPR84 (0.46) | KDM4EALDH1A1NAAAGPR84THRA | |
| SCHEMBL9742985 | 0.90 | GPR84 (0.46) | KDM4EALDH1A1NAAAGPR84THRA | |
| 4-Mercaptopyridine SCHEMBL9462769 | 0.87 | NAAA (0.40) | KDM4EALDH1A1PKMNAAATSHR | |
| SCHEMBL424824 | 0.82 | MAOA (0.49) | KDM4EALDH1A1PKMCYP1A2CYP3A4 | |
| SCHEMBL8966869 | 0.81 | HPGD (0.55) | ALDH1A1PKMNAAAMAPTLMNA |
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-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 |