Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8788974 | 0.64 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL7838200 | 0.64 | ALDH1A1 (0.71) | ALDH1A1TDP1MEN1LMNACYP1A2 | |
| SCHEMBL11564029 | 0.61 | MTNR1A (0.48) | ALDH1A1MEN1LMNACYP1A2KMT2A | |
| SCHEMBL10919037 | 0.60 | — | — | |
| SCHEMBL611232 | 0.58 | CA1 (0.39) | ALDH1A1TDP1HPGD | |
| SCHEMBL8347010 | 0.57 | ALDH1A1 (0.71) | ALDH1A1TDP1MEN1LMNACYP1A2 | |
| SCHEMBL28573978 | 0.57 | L3MBTL1 (0.56) | ALDH1A1MEN1KMT2AMAPTTP53 | |
| SCHEMBL11385176 | 0.55 | RAB9A (0.63) | ALDH1A1TDP1MEN1LMNACYP1A2 | |
| SCHEMBL408956 | 0.55 | — | — | |
| SCHEMBL10781525 | 0.55 | EPHX1 (0.36) | ALDH1A1TDP1PKM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5843977-A | (3-heteroaryl-1-pyrrolidinyl) alkoxy!-3,4-dihydro-1(2H)-naphthalenones and related compounds and their therapeutic utility | HOECHST MARION ROSUEEL, INC. | 1998-12-01 | — | — | US | disclosed |