Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | CASP6 | P55212 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6968540 | 0.85 | PDGFRB (0.40) | KDM4EKMT2AHPGDNPSR1SMN1; SMN2 | |
| SCHEMBL6975291 | 0.83 | F13A1 (0.36) | KDM4EALDH1A1KMT2AHPGDTHRB | |
| SCHEMBL7343469 | 0.75 | GRIN2D (0.38) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL7234126 | 0.75 | CYP1A2 (0.43) | KDM4ECYP1A2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL722679 | 0.72 | KDM4E (0.55) | KDM4ECYP1A2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7005859 | 0.71 | GRIN2D (0.41) | KDM4EGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL16317694 | 0.71 | GABRR1 (0.44) | KDM4ECYP1A2ALDH1A1MAPTCASP6 | |
| SCHEMBL30790196 | 0.71 | GRIN2D (0.42) | KDM4ECYP1A2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL3649106 | 0.70 | GRIN2D (0.51) | KDM4ECYP1A2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL4682790 | 0.70 | KDM4E (0.44) | KDM4EGRIN2DGRIN3BGRIN1GRIN2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1272487-A1 | BICYCLIC HETEROARYL COMPOUNDS AS INHIBITORS OF THE INTERACTION BETWEEN THE INTEGRIN ALPHA4BETA1 RECEPTOR AND VCAM-1 AND/OR FIBRONECTIN | AstraZeneca AB (SE) | 2003-01-08 | — | — | EP | disclosed |
| WO-2001053295-A1 | BICYCLIC HETEROARYL COMPOUNDS AS INHIBITORS OF THE INTERACTION BETWEEN THE INTEGRIN ALPHA4BETA1 RECEPTOR AND VCAM-1 AND/OR FIBRONECTIN | ASTRAZENECA AB (SE) | 2001-07-26 | — | — | WO | disclosed |