Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | AGXT | P21549 | 2/20 | 0.31 |
| ▸ | PPARG | P37231 | 2/20 | 0.30 |
| ▸ | PPARA | Q07869 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9319276 | 0.81 | IDO1 (0.42) | IDO1L3MBTL1TSHRMAPK1ATM | |
| SCHEMBL11307378 | 0.76 | IDO1 (0.45) | IDO1L3MBTL1ACACBPTGS2ESR1 | |
| SCHEMBL28528002 | 0.76 | CHRNB2 (0.45) | CHRNB2CHRNA4CYP2C19AGXTSLC6A2 | |
| SCHEMBL547986 | 0.75 | SLC6A2 (0.47) | IDO1AOC3TSHRTDP1CHRNB2 | |
| SCHEMBL134443 | 0.75 | IDO1 (0.46) | IDO1TSHRACACBPTGS2AGXT | |
| SCHEMBL11875424 | 0.74 | ALDH1A1 (0.46) | TSHRATMCYP1A2CYP2D6 | |
| SCHEMBL764954 | 0.74 | IDO1 (0.65) | IDO1L3MBTL1ACACBESR1ESR2 | |
| SCHEMBL12134040 | 0.74 | ACACB (0.39) | IDO1L3MBTL1ACACBPTGS2ADRB3 | |
| SCHEMBL6181884 | 0.73 | CHRNB2 (0.63) | IDO1MAPK1TDP1CHRNB2CHRNA4 | |
| SCHEMBL8954887 | 0.72 | IDO1 (0.42) | IDO1L3MBTL1ACACBPTGS2ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5877321-A | NEUROKININ RECEPTOR | SANOFI (FR) | 1999-03-02 | — | — | US | disclosed |
| US-5446052-A | Used for treatment of substance p-and neurokinin-dependent pathology such as analgesia and inflmmation | SANOFI (FR) | 1995-08-29 | — | — | US | disclosed |
| US-5300648-A | Analgesics, antiinflammatory agents | SOCIETE ANONYME: ELF SANOFI (FR) | 1994-04-05 | — | — | US | disclosed |