Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 5/20 | 0.43 |
| ▸ | HTR3A | P46098 | 5/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11427829 | 0.99 | HTR1A (0.42) | HTR1AHTR3ASIRT1AKR1C1OPRM1 | |
| SCHEMBL11249097 | 0.91 | HTR1A (0.46) | HTR1AHTR3ASIRT1AKR1C1OPRM1 | |
| Bromide SCHEMBL11427938 | 0.90 | HTR1A (0.45) | HTR1AHTR3ASIRT1AKR1C1OPRM1 | |
| SCHEMBL11477972 | 0.89 | HTR1A (0.41) | HTR1AHTR3ASIRT1OPRM1MAPT | |
| Hydrochloric Acid SCHEMBL11476881 | 0.87 | HTR1A (0.43) | HTR1AHTR3ASIRT1OPRM1MAPT | |
| SCHEMBL11477282 | 0.85 | OPRM1 (0.44) | HTR1AHTR3ASIRT1OPRM1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11477019 | 0.84 | OPRM1 (0.43) | HTR1AHTR3ASIRT1OPRM1ALDH1A1 | |
| SCHEMBL11477520 | 0.82 | OPRM1 (0.63) | OPRM1 | |
| SCHEMBL11501244 | 0.82 | HTR1A (0.36) | HTR1AHTR3ASIRT1OPRM1MAPT | |
| Oxalic Acid SCHEMBL11490107 | 0.80 | OPRM1 (0.60) | OPRM1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4198420-A | Spiro[dibenz(b,f)thiepin-piperidine]s | AMERICAN HOECHST CORPORATION (US) | 1980-04-15 | — | — | US | claimed |
| US-4198419-A | Phenylthiophenylpiperidines | AMERICAN HOECHST CORPORATION (US) | 1980-04-15 | — | — | US | claimed |
| EP-0013424-B1 | SPIRO(DIBENZO(B,F)THIEPINE-PIPERIDINES), INTERMEDIATE PRODUCTS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-11-17 | — | — | EP | disclosed |
| EP-0013424-A1 | Spiro(dibenzo(b,f)thiepine-piperidines), intermediate products for their preparation and medicaments containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-07-23 | — | — | EP | disclosed |
| US-4198420-A | Spiro[dibenz(b,f)thiepin-piperidine]s | AMERICAN HOECHST CORPORATION (US) | 1980-04-15 | — | — | US | disclosed |
| US-4198419-A | Phenylthiophenylpiperidines | AMERICAN HOECHST CORPORATION (US) | 1980-04-15 | — | — | US | disclosed |