Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | CA9 | Q16790 | 3/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.47 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL9806131 | 0.95 | CA1 (0.49) | CA1CA2CA9CA14ACHE | |
| SCHEMBL9797273 | 0.86 | CYP3A4 (0.57) | L3MBTL1CYP3A4CYP2D6HTTGRIN2C | |
| Hydrochloric Acid SCHEMBL9797260 | 0.85 | CYP3A4 (0.56) | L3MBTL1CYP3A4CYP2D6HTTGRIN2C | |
| SCHEMBL10414720 | 0.83 | CYP3A4 (0.55) | CA1CA2CA9CA14CYP3A4 | |
| SCHEMBL9797324 | 0.82 | CYP3A4 (0.54) | CA1CA2CA9CA14ACHE | |
| SCHEMBL9797712 | 0.82 | CYP3A4 (0.54) | CA1CA2CA9CA14CYP3A4 | |
| SCHEMBL9797470 | 0.82 | CYP3A4 (0.54) | CA1CA2CA9CA14CYP3A4 | |
| SCHEMBL9797731 | 0.82 | CYP3A4 (0.67) | CYP3A4CYP2D6 | |
| SCHEMBL9806183 | 0.81 | ALDH1A1 (0.55) | CA1CA2CA9CA14ACHE | |
| SCHEMBL9806144 | 0.80 | ABCG2 (0.54) | CA1CA2CA9CA14 |
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-4935418-A | Medical compositions of 1-aryloxy-2,3,4,5-tetrahydro-3-benzazepines and use thereof | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1990-06-19 | — | — | US | claimed |
| US-4794181-A | ANTIDEPRESSANTS, ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1988-12-27 | — | — | US | claimed |