Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | PLK1 | P53350 | 1/20 | 0.44 |
| ▸ | TAOK3 | Q9H2K8 | 3/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.42 |
| ▸ | RELA | Q04206 | 3/20 | 0.42 |
| ▸ | TAOK1 | Q7L7X3 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8533720 | 0.94 | PTPN11 (0.42) | MCHR1PLK1TAOK3PTPN11TP53 | |
| SCHEMBL8585474 | 0.91 | MCHR1 (0.45) | MCHR1PLK1FAAH | |
| SCHEMBL8536472 | 0.85 | NPC1 (0.50) | MCHR1TAOK3TP53TSHRNPC1 | |
| SCHEMBL8532517 | 0.85 | MCHR1 (0.41) | MCHR1PLK1TAOK3PTPN11TP53 | |
| SCHEMBL8536722 | 0.84 | TAOK3 (0.49) | TAOK3TP53TSHRNPC1LMNA | |
| SCHEMBL8533378 | 0.84 | PTPN11 (0.46) | MCHR1PLK1TAOK3PTPN11TP53 | |
| SCHEMBL8531556 | 0.82 | MCHR1 (0.54) | MCHR1TP53TSHRNPC1LMNA | |
| SCHEMBL8536706 | 0.82 | MCHR1 (0.54) | MCHR1TP53TSHRNPC1LMNA | |
| SCHEMBL8531861 | 0.82 | MCHR1 (0.54) | MCHR1TP53TSHRNPC1LMNA | |
| SCHEMBL8536045 | 0.82 | MCHR1 (0.54) | MCHR1TP53TSHRNPC1LMNA |
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-5776365-A | COMPOUNDS WITH OPTICAL ACTIVITY AND SWITCHES FOR CONTRAST | MITSUI CHEMICALS, INC. (JP) | 1998-07-07 | — | — | US | disclosed |
| US-5725798-A | CARBOXYLIC ESTERS FOR ELECTRICAL APPARATUS, SWITCHES AND CONTRAST | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1998-03-10 | — | — | US | disclosed |