Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 3/20 | 0.53 |
| ▸ | CCR3 | P51677 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | BCHE | P06276 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | ABL1 | P00519 | 1/20 | 0.50 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2771071 | 0.89 | GRM6 (0.54) | SIGMAR1KMT2AMEN1TSHRSMN1; SMN2 | |
| SCHEMBL2771075 | 0.89 | GRM6 (0.54) | SIGMAR1KMT2AMEN1TSHRSMN1; SMN2 | |
| SCHEMBL2771498 | 0.89 | GRM6 (0.54) | SIGMAR1KMT2AMEN1TSHRSMN1; SMN2 | |
| SCHEMBL8318482 | 0.88 | SPHK1 (0.54) | SIGMAR1KMT2AMEN1TSHRACHE | |
| Hydrochloric Acid SCHEMBL8323987 | 0.87 | SPHK1 (0.53) | SIGMAR1KMT2AMEN1TSHRACHE | |
| SCHEMBL8409861 | 0.86 | AGTR2 (0.61) | SIGMAR1KMT2AALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL2864891 | 0.86 | AGTR2 (0.61) | SIGMAR1KMT2AALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL8343227 | 0.86 | AGTR2 (0.61) | SIGMAR1KMT2AALDH1A1LMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5134049 | 0.85 | AGTR2 (0.60) | SIGMAR1KMT2AALDH1A1LMNA | |
| SCHEMBL20312897 | 0.85 | SIGMAR1 (0.51) | SIGMAR1ACHEBCHE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3122751-A1 | CONDENSED [1,4]DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2017-02-01 | — | — | EP | disclosed |
| WO-2015144609-A1 | CONDENSED [1,4]DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-10-01 | — | — | WO | disclosed |
| US-5866562-A | CENTRAL NERVOUS SYSTEM DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 1999-02-02 | — | — | US | disclosed |