Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GLRA1 | P23415 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20227025 | 0.77 | MEN1 (0.43) | HTTHPGDMEN1KMT2AALDH1A1 | |
| SCHEMBL2118719 | 0.68 | GLRA1 (0.41) | HTTHPGDMEN1KMT2AALDH1A1 | |
| SCHEMBL2117785 | 0.68 | MEN1 (0.48) | HTTHPGDMEN1KMT2AALDH1A1 | |
| SCHEMBL7263191 | 0.67 | NPC1 (0.53) | HPGDMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL3355255 | 0.65 | HTT (0.55) | HTTHPGDMEN1KMT2AALDH1A1 | |
| SCHEMBL1206421 | 0.65 | MEN1 (0.45) | HTTHPGDMEN1KMT2AALDH1A1 | |
| SCHEMBL2117359 | 0.65 | HPGD (0.40) | HTTHPGDMEN1KMT2AALDH1A1 | |
| SCHEMBL3355462 | 0.64 | HTT (0.53) | HTTHPGDMEN1KMT2AALDH1A1 | |
| SCHEMBL3360281 | 0.64 | HTT (0.44) | HTTHPGDMEN1KMT2AALDH1A1 | |
| SCHEMBL2115666 | 0.64 | MEN1 (0.38) | HTTHPGDMEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018102634-A1 | TRICYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-06-07 | — | — | WO | disclosed |