Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8071406 | 0.92 | CYP1A2 (0.35) | CYP1A2MTNR1AMTNR1BEPHX1SMN1; SMN2 | |
| SCHEMBL8068006 | 0.90 | SMN1; SMN2 (0.32) | CYP1A2SMN1; SMN2 | |
| SCHEMBL8073739 | 0.88 | CNR2 (0.32) | EPHX1SMN1; SMN2 | |
| SCHEMBL8068965 | 0.88 | SMN1; SMN2 (0.36) | MTNR1AMTNR1BSMN1; SMN2HPGD | |
| SCHEMBL8068961 | 0.86 | IDH2 (0.32) | MTNR1AMTNR1BEPHX1SMN1; SMN2CYP3A4 | |
| SCHEMBL8057784 | 0.85 | MTNR1A (0.31) | MTNR1AMTNR1BEPHX1SMN1; SMN2CYP3A4 | |
| SCHEMBL8057810 | 0.85 | ALOX15 (0.33) | CYP1A2EPHX1 | |
| SCHEMBL8068707 | 0.83 | — | — | |
| SCHEMBL8068959 | 0.83 | EPHX1 (0.32) | EPHX1 | |
| Hydrochloric Acid SCHEMBL8057648 | 0.82 | CYP1A2 (0.33) | CYP1A2MTNR1AMTNR1BEPHX1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6127496-A | POLYMERIZING OLEFINICALLY UNSATURATED COMPOUNDS IN PRESENCE OF METALLOCENE CATALYST SYSTEM CONTAINING A COMPOUND CAPABLE OF FORMING METALLOCENIUM IONS | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-03 | — | — | US | disclosed |
| US-6077965-A | Metal complexes with an adamantane-like structure | BASF AKTIENGESELLSCHAFT (DE) | 2000-06-20 | — | — | US | disclosed |