Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20987910 | 0.74 | CRBN (0.50) | TSHRTDP1ALDH1A1OPRM1 | |
| SCHEMBL10652596 | 0.70 | SIGMAR1 (0.41) | HDAC9TSHRSIGMAR1ALDH1A1TP53 | |
| SCHEMBL5077770 | 0.70 | RXFP1 (0.37) | PARP1TSHRTDP1ALDH1A1TP53 | |
| SCHEMBL14477085 | 0.70 | CHRM2 (0.44) | TDP1HTR2AHTR2CHTR2BSIGMAR1 | |
| SCHEMBL22813353 | 0.68 | ALDH1A1 (0.42) | TSHRTDP1ALDH1A1 | |
| SCHEMBL6659478 | 0.68 | ALDH1A1 (0.49) | TSHRALDH1A1TP53RXFP1KMT2A | |
| SCHEMBL18088633 | 0.68 | ALDH1A1 (0.43) | HDAC9TSHRALDH1A1HCAR2 | |
| SCHEMBL3237598 | 0.68 | KMT2A (0.40) | TSHRALDH1A1KMT2A | |
| SCHEMBL17033019 | 0.67 | ALDH1A1 (0.42) | HTR2AHTR2CHTR2BSIGMAR1ALDH1A1 | |
| SCHEMBL5502763 | 0.67 | ALDH1A1 (0.48) | TSHRALDH1A1TP53KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2402334-B1 | Inhibitors of E1 Activating Enzymes | MILLENNIUM PHARM INC (US) | 2016-06-29 | — | — | EP | disclosed |