Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7647236 | 0.81 | ADRB1 (0.52) | MGLLKDM4EALDH1A1HTR2AHTR2C | |
| SCHEMBL7943366 | 0.80 | MAPT (0.38) | KDM4ENPC1RAB9ATDP1ALDH1A1 | |
| SCHEMBL7940843 | 0.80 | HTR2B (0.36) | MGLLHTR2AHTR2CHTR2BMEN1 | |
| SCHEMBL4487460 | 0.80 | ADRB1 (0.50) | HTR2AHTR2CHTR2BMEN1KMT2A | |
| SCHEMBL746788 | 0.80 | ADRB1 (0.47) | ALDH1A1HTR2AHTR2CHTR2BMEN1 | |
| Hydrochloric Acid SCHEMBL6374876 | 0.79 | ADRB1 (0.49) | HTR2AHTR2CHTR2BMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6830556 | 0.78 | ADRB1 (0.46) | ALDH1A1HTR2AHTR2CHTR2BMEN1 | |
| SCHEMBL3017728 | 0.77 | ADRB1 (0.56) | MGLLKDM4ERAB9AALDH1A1HTR2A | |
| SCHEMBL22914744 | 0.77 | POLB (0.46) | KDM4EALDH1A1HTR2AHTR2CHTR2B | |
| SCHEMBL38662505 | 0.77 | ADRB2 (0.50) | ALDH1A1HTR2AHTR2CHTR2BCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |