Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.48 |
| ▸ | LPL | P06858 | 2/20 | 0.48 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Nitrogen SCHEMBL23668051 | 1.00 | TSHR (0.53) | TSHRSIGMAR1KCNH2CYP1A2CYP2D6 | |
| SCHEMBL24767335 | 0.97 | TSHR (0.56) | TSHRSIGMAR1KCNH2CYP1A2CYP2D6 | |
| SCHEMBL8733292 | 0.97 | TSHR (0.56) | TSHRSIGMAR1KCNH2CYP1A2CYP2D6 | |
| SCHEMBL9175089 | 0.95 | TSHR (0.57) | TSHRSIGMAR1KCNH2CYP1A2CYP2D6 | |
| SCHEMBL9172285 | 0.91 | TSHR (0.59) | TSHRSIGMAR1CYP1A2CYP2D6CYP2C9 | |
| Nitrogen SCHEMBL21712923 | 0.90 | TSHR (0.47) | TSHRSIGMAR1KCNH2CYP1A2CYP2D6 | |
| SCHEMBL11132173 | 0.86 | ALDH1A1 (0.49) | TSHRSIGMAR1KCNH2CYP1A2CYP2D6 | |
| SCHEMBL11145434 | 0.85 | SIGMAR1 (0.55) | TSHRSIGMAR1KCNH2CYP1A2CYP2D6 | |
| SCHEMBL680656 | 0.84 | TSHR (0.62) | TSHRSIGMAR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8208661 | 0.81 | TSHR (0.56) | TSHRSIGMAR1CYP1A2CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0474431-B1 | Amphiphilic compounds for sequential monolayer deposition | ICI PLC (GB) | 1996-03-06 | — | — | EP | disclosed |
| US-5275924-A | Non-centrosymmetric; hydrophobic; chromophores | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-01-04 | — | — | US | disclosed |
| EP-0474431-A1 | Amphiphilic compounds for sequential monolayer deposition | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-03-11 | — | — | EP | disclosed |