Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | USP2 | O75604 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21383779 | 0.87 | CES2 (0.46) | ALDH1A1CYP2C9MEN1KMT2ACYP2C19 | |
| SCHEMBL12869290 | 0.85 | KMT2A (0.49) | ALDH1A1KMT2AMAPK1CES2CES1 | |
| SCHEMBL9866909 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP2D6CYP3A4CYP2C9MEN1 | |
| SCHEMBL29760817 | 0.81 | PARP1 (0.44) | MEN1KMT2ATSHRTP53 | |
| SCHEMBL6209336 | 0.81 | PARP1 (0.44) | MEN1KMT2ATSHRTP53 | |
| SCHEMBL3088869 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CYP2D6MEN1KMT2ACYP2C19 | |
| SCHEMBL9866902 | 0.79 | MEN1 (0.43) | ALDH1A1CYP2D6CYP3A4CYP2C9USP2 | |
| SCHEMBL9866892 | 0.75 | CES2 (0.50) | ALDH1A1MEN1KMT2ACES2CES1 | |
| SCHEMBL11888882 | 0.75 | HTT (0.60) | ALDH1A1CYP2C9MEN1KMT2ACYP2C19 | |
| SCHEMBL11111271 | 0.72 | HSD11B1 (0.59) | CYP2C9MEN1KMT2ACYP2C19MAPK14 |
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-5057611-A | Intermediates for analgesics | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1991-10-15 | — | — | US | claimed |
| US-5057611-A | Intermediates for analgesics | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1991-10-15 | — | — | US | disclosed |
| US-4833244-A | Ethanobenzazepines | HOECHST-ROUSEEL PHARMACEUTICALS INC. (US) | 1989-05-23 | — | — | US | disclosed |
| US-4723009-A | USING 1-OXA-6-AZA SPIRO(2,5)OCTANE COMPOUNDS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1988-02-02 | — | — | US | disclosed |
| US-4654336-A | ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1987-03-31 | — | — | US | disclosed |
| EP-0200052-A2 | Ethanobenzazepines, a process and intermediates for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1986-11-05 | — | — | EP | disclosed |