Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | SCN1A | P35498 | 3/20 | 0.45 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.45 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11783872 | 0.85 | TSHR (0.47) | CYP3A4SCN1ASCN2ASCN3ATSHR | |
| SCHEMBL9879134 | 0.84 | SCN1A (0.44) | CYP3A4SCN1ASCN2ASCN3ATSHR | |
| SCHEMBL10745489 | 0.83 | PIN1 (0.50) | CYP3A4SCN1ASCN2ASCN3ATSHR | |
| SCHEMBL6472435 | 0.82 | ALDH1A1 (0.50) | CYP3A4SCN1ASCN2ASCN3ATSHR | |
| SCHEMBL11775522 | 0.81 | CYP3A4 (0.46) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9879410 | 0.79 | SCN1A (0.40) | CYP3A4SCN1ASCN2ASCN3ATSHR | |
| SCHEMBL1502420 | 0.78 | CYP3A4 (0.50) | CYP3A4TSHRLMNACYP2C19KDM4E | |
| SCHEMBL11329310 | 0.78 | KCNN4 (0.56) | CYP3A4SCN1ASCN2ASCN3ATSHR | |
| SCHEMBL751119 | 0.78 | CYP3A4 (0.53) | CYP3A4TSHRLMNARAB9AKDM4E | |
| SCHEMBL28003868 | 0.78 | CYP3A4 (0.53) | CYP3A4TSHRLMNARAB9AKDM4E |
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-5008285-A | Antiarthritic agent with low gastric irritability side effect | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1991-04-16 | — | — | US | disclosed |
| EP-0159684-B1 | (6,11-DIHYDRO-11-OXODIBENZ(B,E)OXEPINYL)PENTANOIC ACIDS AND DERIVATIVES, A PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1989-09-27 | — | — | EP | disclosed |