Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL8903519 | 0.80 | NR1D1 (0.33) | TSHRMAPTALDH1A1L3MBTL1KDM4E | |
| SCHEMBL8903531 | 0.80 | NR1D1 (0.33) | TSHRMAPTNPSR1ALDH1A1L3MBTL1 | |
| SCHEMBL8903221 | 0.80 | NR1D1 (0.33) | TSHRMAPTALDH1A1L3MBTL1KDM4E | |
| SCHEMBL8902600 | 0.76 | ALDH1A1 (0.35) | TSHRMAPTALDH1A1L3MBTL1KDM4E | |
| SCHEMBL8902842 | 0.76 | ALDH1A1 (0.35) | TSHRMAPTALDH1A1L3MBTL1KDM4E | |
| SCHEMBL8901775 | 0.73 | ADORA3 (0.30) | — | |
| SCHEMBL9755763 | 0.73 | ADORA3 (0.30) | — | |
| SCHEMBL9521733 | 0.71 | KDM4E (0.33) | MAPTALDH1A1L3MBTL1KDM4EKMT2A | |
| SCHEMBL8901727 | 0.71 | KDM4E (0.34) | MAPTNPSR1ALDH1A1L3MBTL1KDM4E | |
| SCHEMBL8903534 | 0.71 | ADORA3 (0.33) | MAPTALDH1A1L3MBTL1KDM4EKMT2A |
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-5593970-A | ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING | BIOCHEM PHARMA INC. (CA) | 1997-01-14 | — | — | US | disclosed |