Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMOX1 | P09601 | 1/20 | 0.65 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | QPCT | Q16769 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | NOS1 | P29475 | 1/20 | 0.54 |
| ▸ | HMOX2 | P30519 | 1/20 | 0.54 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5759151 | 0.96 | HMOX1 (0.64) | HMOX1CYP19A1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL5759785 | 0.87 | HMOX1 (0.85) | HMOX1CYP19A1KMT2AQPCTTBXAS1 | |
| SCHEMBL5759324 | 0.84 | HMOX1 (0.53) | HMOX1CYP19A1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL5757778 | 0.84 | HMOX1 (0.83) | HMOX1CYP19A1KMT2AQPCTTBXAS1 | |
| SCHEMBL5758806 | 0.83 | ATP4A (0.57) | HMOX1CYP19A1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL5761300 | 0.82 | PPARA (0.51) | HMOX1ALDH1A1SMN1; SMN2KDM4ENPSR1 | |
| 3-(Benzyloxy)Aniline SCHEMBL8129778 | 0.82 | MAOB (0.58) | HMOX1CYP19A1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL5761107 | 0.81 | HMOX1 (0.52) | HMOX1CYP19A1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL3160306 | 0.81 | CYP19A1 (0.71) | HMOX1CYP19A1QPCTTBXAS1CYP1A2 | |
| SCHEMBL5758544 | 0.80 | CYP1A2 (0.58) | HMOX1KDM4EKMT2AQPCTCYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1270571-B1 | Heterocyclic compounds, their production and use | TAKEDA PHARMACEUTICAL (JP) | 2006-09-06 | — | — | EP | disclosed |
| EP-1270571-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-01-02 | — | — | EP | disclosed |
| US-6211215-B1 | AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-03 | — | — | US | disclosed |
| EP-0912562-A1 | HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1999-05-06 | — | — | EP | disclosed |
| WO-1998003505-A2 | HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-01-29 | — | — | WO | disclosed |