Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| (Chloromethyl)Benzene SCHEMBL28005139 | 0.84 | LTA4H (0.69) | LTA4HSIGMAR1IDO1KDM4ESMN1; SMN2 | |
| SCHEMBL13096 | 0.84 | IDO1 (0.58) | LTA4HSIGMAR1IDO1KDM4ESMN1; SMN2 | |
| SCHEMBL467215 | 0.82 | IDO1 (0.56) | LTA4HSIGMAR1IDO1KDM4ESMN1; SMN2 | |
| SCHEMBL1657653 | 0.82 | IDO1 (0.56) | LTA4HSIGMAR1IDO1KDM4ESMN1; SMN2 | |
| SCHEMBL2996706 | 0.78 | MAOB (0.59) | LTA4HIDO1KDM4ESMN1; SMN2NPC1 | |
| SCHEMBL8993257 | 0.78 | LTA4H (0.65) | LTA4HIDO1KDM4ESMN1; SMN2CYP3A4 | |
| SCHEMBL6157954 | 0.78 | LTA4H (0.54) | LTA4HIDO1KDM4ESMN1; SMN2CYP3A4 | |
| Anisole SCHEMBL27729441 | 0.78 | CA4 (0.64) | LTA4HSIGMAR1KDM4ESMN1; SMN2NPC1 | |
| Anisole SCHEMBL29053879 | 0.78 | CA4 (0.70) | LTA4HKDM4ESMN1; SMN2NPC1CYP1A2 | |
| (Chloromethyl)Benzene SCHEMBL2179529 | 0.78 | TDP1 (0.45) | LTA4HCYP11B1CYP11B2CYP1A2CYP3A4 |
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-20080201095-A1 | Method for Calibrating an Analytical Instrument | VERMILLION, INC. | 2008-08-21 | — | — | US | disclosed |
| WO-2008100941-A2 | A METHOD FOR CALIBRATING AN ANALYTICAL INSTRUMENT | CORRELOGIC SYSTEMS INC. (US) | 2008-08-21 | — | — | WO | disclosed |