Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.54 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28299859 | 0.84 | GPR84 (0.54) | GPR84SLC6A4MTNR1AMTNR1BHTR1D | |
| SCHEMBL27800276 | 0.81 | PKM (0.56) | GPR84CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL18036687 | 0.77 | GPR84 (0.67) | GPR84NR4A2SLC6A4ADRB3KMT2A | |
| SCHEMBL27591784 | 0.77 | NR4A2 (0.52) | GPR84NR4A2SLC6A4HTR1DHTR1B | |
| SCHEMBL10263493 | 0.75 | ADRB2 (0.53) | NPC1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL3195765 | 0.75 | GPR84 (0.73) | GPR84NR4A2SLC6A4MTNR1AMTNR1B | |
| SCHEMBL24815224 | 0.75 | GPR84 (0.63) | GPR84NR4A2SLC6A4MTNR1AMTNR1B | |
| SCHEMBL3184502 | 0.74 | GPR84 (0.67) | GPR84NR4A2SLC6A4MTNR1AMTNR1B | |
| SCHEMBL841091 | 0.74 | NR4A2 (0.59) | GPR84NR4A2SLC6A4MTNR1AMTNR1B | |
| SCHEMBL30049244 | 0.74 | NR4A2 (0.59) | GPR84NR4A2SLC6A4MTNR1AMTNR1B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109414470-A | Companion diagnostic tools for peptidomimetic macrocycles | 艾瑞朗医疗公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-108912211-A | Triazole crosslinking and thioether crosslinking peptidomimetic macrocyclic compound | 爱勒让治疗公司 | 2018-11-30 | — | — | CN | disclosed |
| CN-103282510-A | Peptidomimetic macrocycles | AILERON THERAPEUTICS INC | 2013-09-04 | — | — | CN | disclosed |