Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10927874 | 1.00 | TSHR (0.48) | TSHRBLMHTTSLC18A3MEN1 | |
| SCHEMBL15613459 | 0.91 | HTR1A (0.47) | TSHRBLMSLC18A3 | |
| SCHEMBL5677126 | 0.81 | ADORA2A (0.40) | TSHRMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL5677122 | 0.81 | ADORA2A (0.40) | TSHRMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL14930299 | 0.78 | HTT (0.56) | TSHRHTTMEN1KMT2ATP53 | |
| SCHEMBL1327514 | 0.78 | HTT (0.56) | TSHRHTTMEN1KMT2ATP53 | |
| SCHEMBL1327511 | 0.78 | HTT (0.56) | TSHRHTTMEN1KMT2ATP53 | |
| SCHEMBL5755796 | 0.74 | BLM (0.51) | TSHRBLMHTTMEN1KMT2A | |
| SCHEMBL7273873 | 0.73 | GRIN2B (0.55) | ALDH1A1KDM4E | |
| SCHEMBL7270707 | 0.73 | GRIN2B (0.55) | ALDH1A1KDM4E |
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-0080116-B1 | OCTAHYDROBENZO(6,7)CYCLOHEPT(1,2-B)-1,4-OXAZINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL FORMULATION CONTAINING THEM | MERCK & CO. INC. (US) | 1986-12-10 | — | — | EP | disclosed |
| EP-0080116-A2 | Octahydrobenzo(6,7)cyclohept(1,2-b)-1,4-oxazines, process for their preparation and pharmaceutical formulation containing them | MERCK & CO. INC. (US) | 1983-06-01 | — | — | EP | disclosed |
| US-4349548-A | Octahydrobenzo[6,7]cyclohept[1,2-b]-1,4-oxazines, compositions and use | MERCK & CO., INC. (US) | 1982-09-14 | — | — | US | disclosed |