Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 8/20 | 0.56 |
| ▸ | MC4R | P32245 | 3/20 | 0.49 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29465811 | 0.81 | TLR7 (0.51) | ACSS2KDM4E | |
| SCHEMBL24492391 | 0.81 | TLR7 (0.51) | ACSS2KDM4E | |
| SCHEMBL21310907 | 0.78 | TLR7 (0.55) | ACSS2KDM4ERAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL3430045 | 0.77 | SMN1; SMN2 (0.50) | OPRK1MC4RKDM4ETSHRMAPK1 | |
| SCHEMBL14247233 | 0.75 | NPSR1 (0.46) | MAPK1KMT2ANPSR1 | |
| SCHEMBL13011460 | 0.74 | OPRK1 (0.55) | OPRK1ALDH1A1CYP2D6 | |
| SCHEMBL2362229 | 0.74 | KDM4E (0.58) | KDM4EALDH1A1KMT2AGLAHSD17B10 | |
| SCHEMBL30163788 | 0.73 | BRD4 (0.58) | MC4RCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL24845833 | 0.73 | BRD4 (0.58) | MC4RCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27478667 | 0.72 | GLP1R (0.48) | OPRK1MC4RMEN1ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016077541-A1 | NOVEL ANTI-INFECTIVE COMPOUNDS AND METHODS USING SAME | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2016-05-19 | — | — | WO | claimed |
| WO-2016077541-A1 | NOVEL ANTI-INFECTIVE COMPOUNDS AND METHODS USING SAME | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2016-05-19 | — | — | WO | disclosed |
| WO-2016077541-A1 | NOVEL ANTI-INFECTIVE COMPOUNDS AND METHODS USING SAME | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2016-05-19 | — | — | WO | disclosed |