Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 10/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10668808 | 0.83 | CA2 (0.54) | CYP2A6CA2MTNR1AMTNR1B | |
| SCHEMBL6075756 | 0.82 | MTNR1A (0.72) | CYP2A6CA2MTNR1AMTNR1BHDAC10 | |
| SCHEMBL6076645 | 0.81 | MTNR1A (0.72) | CYP2A6CA2MTNR1AMTNR1BHDAC10 | |
| SCHEMBL25987518 | 0.81 | KDM4E (0.52) | CYP2A6MTNR1AMTNR1B | |
| SCHEMBL31588788 | 0.80 | CYP2A6 (0.67) | CYP2A6CA2MTNR1AMTNR1BHDAC10 | |
| SCHEMBL25030227 | 0.79 | MTNR1A (0.70) | MTNR1AMTNR1B | |
| SCHEMBL8547530 | 0.79 | CYP2A6 (0.75) | CYP2A6CA2MTNR1AMTNR1BHDAC10 | |
| SCHEMBL6075680 | 0.78 | MTNR1A (0.66) | CYP2A6CA2MTNR1AMTNR1BHDAC10 | |
| SCHEMBL8551337 | 0.78 | CYP2A6 (0.59) | CYP2A6CA2MTNR1AMTNR1BHDAC10 | |
| SCHEMBL15985408 | 0.78 | MTNR1A (0.47) | CYP2A6MTNR1AMTNR1B |
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-4737495-A | ANTIALLERGENS, ANTISCHEMIC, HYPOTENSIVE AGENTS | DR. KARL TOMAE, GMBH (DE) | 1988-04-12 | — | — | US | disclosed |
| EP-0204349-A2 | Heteroaromatic amine derivatives, medicaments containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1986-12-10 | — | — | EP | disclosed |