Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.41 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | ACLY | P53396 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2091976 | 0.91 | NPSR1 (0.47) | MEN1KMT2ATSHRNPSR1NPC1 | |
| SCHEMBL10569964 | 0.80 | MEN1 (0.43) | MEN1KMT2ATSHRHDAC1HDAC6 | |
| SCHEMBL2091974 | 0.79 | NPSR1 (0.45) | KMT2ATSHRNPSR1NPC1RAB9A | |
| SCHEMBL11438159 | 0.77 | NR3C2 (0.50) | MEN1KMT2ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2092277 | 0.77 | NPC1 (0.43) | MEN1KMT2ATSHRNPSR1NPC1 | |
| SCHEMBL2095451 | 0.75 | NPSR1 (0.48) | MEN1KMT2ATSHRNPSR1NPC1 | |
| SCHEMBL8404953 | 0.74 | ALDH1A1 (0.50) | KMT2ACYP3A4CYP2D6OPRK1UTS2R | |
| SCHEMBL1942998 | 0.73 | POLQ (0.41) | KMT2ATSHRNPSR1NPC1RAB9A | |
| SCHEMBL10344929 | 0.73 | GRM4 (0.43) | KMT2ACYP2C9CYP2D6ACLYNPSR1 | |
| SCHEMBL29795272 | 0.73 | ALDH1A1 (0.51) | MEN1KMT2ANPSR1NPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3836933-A1 | INHIBITORS TO TARGET HIV-1 NEF-CD80/CD86 INTERACTIONS FOR THERAPEUTIC INTERVENTION | National Centre for Biological Sciences-TIFR (IN) | 2021-06-23 | — | — | EP | disclosed |
| WO-2020035880-A1 | INHIBITORS TO TARGET HIV-1 NEF-CD80/CD86 INTERACTIONS FOR THERAPEUTIC INTERVENTION | NATIONAL CENTRE FOR BIOLOGICAL SCIENCES-TIFR (IN) | 2020-02-20 | — | — | WO | disclosed |