Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | DBH | P09172 | 1/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.36 |
| ▸ | ACP1 | P24666 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10691177 | 0.79 | KCNH2 (0.36) | KCNH2LMNAHTT | |
| SCHEMBL2949433 | 0.76 | SIGMAR1 (0.51) | TSHRCYP2D6CYP2C19HIF1ADBH | |
| SCHEMBL10337098 | 0.69 | TSHR (0.53) | TSHRCYP2D6CYP2C19HIF1ADBH | |
| SCHEMBL10691328 | 0.68 | POLB (0.41) | SIGMAR1POLBMAOA | |
| SCHEMBL28364457 | 0.66 | TSHR (0.53) | TSHRCYP2D6CYP2C19HIF1ADBH | |
| Hydrochloric Acid SCHEMBL7986543 | 0.66 | HTR1D (0.38) | TSHRCYP2D6KCNH2HTR1ALMNA | |
| SCHEMBL14610820 | 0.65 | KCNH2 (0.50) | TSHRCYP2D6CYP2C19HIF1AKMT2A | |
| SCHEMBL6654380 | 0.62 | HSP90AA1 (0.55) | CYP2D6CYP2C19HIF1AKMT2AKCNH2 | |
| SCHEMBL26116810 | 0.60 | CYP2A13 (0.68) | CYP2A13SIGMAR1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL24508364 | 0.59 | KDM4E (0.73) | CYP2A13SIGMAR1KMT2ASMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4732989-A | INTERMEDIATES FOR BACTERICIDES | G. D. SEARLE & CO. (US) | 1988-03-22 | — | — | US | disclosed |
| US-4661602-A | ANTIANAEROBIC AGENTS | G. D. SEARLE & CO. (US) | 1987-04-28 | — | — | US | disclosed |