Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | KDM4A | O75164 | 7/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 7/20 | 0.32 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
| ▸ | KDM7A | Q6ZMT4 | 1/20 | 0.32 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.32 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL429546 | 0.93 | ALDH1A1 (0.39) | ALDH1A1TSHRDNM1HSD17B10TDP1 | |
| SCHEMBL17769386 | 0.85 | ALDH1A1 (0.53) | ALDH1A1TSHRDNM1HSD17B10KDM4A | |
| SCHEMBL6407485 | 0.83 | — | — | |
| SCHEMBL10542936 | 0.83 | — | — | |
| SCHEMBL28959405 | 0.83 | TDP1 (0.42) | ALDH1A1TSHRDNM1HSD17B10TDP1 | |
| SCHEMBL20484614 | 0.80 | GABRR1 (0.41) | TSHRCYP2C9CYP1A2 | |
| SCHEMBL8885433 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TSHRDNM1HSD17B10KDM4A | |
| SCHEMBL2454527 | 0.78 | ALDH1A1 (0.47) | ALDH1A1TSHRDNM1HSD17B10TDP1 | |
| SCHEMBL10937125 | 0.78 | CA12 (0.40) | ALDH1A1TSHRTDP1HRH4CYP2C9 | |
| SCHEMBL9175598 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TSHRDNM1KDM4AKDM4C |
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 |
|---|---|---|---|---|---|---|---|
| WO-1981003173-A1 | THIENO-TRICYCLIC COMPOUNDS,METHOD FOR THE PREPARATION THEREOF,UTILIZATION OF SUCH COMPOUNDS AND DRUGS CONTAINING THEM | BYK GULDEN LOMBERG CHEM FAB (DE) | 1981-11-12 | — | — | WO | claimed |
| US-4251637-A | TO PREPARE A POLYMER CONTAINING RECURRING ISOCYANURATE AND URETHANE LINKAGES | TEXACO DEVELOPMENT CORPORATION (US) | 1981-02-17 | — | — | US | disclosed |