Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.44 |
| ▸ | ITGAV | P06756 | 2/20 | 0.44 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.42 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.42 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.42 |
| ▸ | ITGAL | P20701 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28713743 | 0.82 | LOXL2 (0.64) | LOXL2SMN1; SMN2KDM4EITGB3ITGB1 | |
| Trifluoroacetic Acid SCHEMBL30182273 | 0.82 | LOXL2 (0.60) | LOXL2SMN1; SMN2KDM4EBRD4CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL1146349 | 0.82 | SMN1; SMN2 (0.47) | ALDH1A1LOXL2SMN1; SMN2KDM4EBRD4 | |
| Ethylbenzene SCHEMBL8525583 | 0.82 | TP53 (0.61) | ALDH1A1SMN1; SMN2NPC1CYP1A2CYP2C19 | |
| Benzylamine SCHEMBL5450068 | 0.82 | LOXL2 (0.61) | LOXL2SMN1; SMN2CYP1A2CYP2C19ITGB3 | |
| Trifluoroacetic Acid SCHEMBL7850274 | 0.81 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2NPC1CYP1A2CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL1823273 | 0.81 | KMT2A (0.52) | LOXL2SMN1; SMN2KDM4EITGB3ITGB1 | |
| Trifluoroacetic Acid SCHEMBL5758188 | 0.81 | PSIP1 (0.71) | SMN1; SMN2KDM4EPSIP1 | |
| Trifluoroacetic Acid SCHEMBL28281967 | 0.81 | LOXL2 (0.77) | LOXL2HDAC6 | |
| Aminomethylbenzoic Acid SCHEMBL7422142 | 0.81 | ALDH1A1 (0.50) | ALDH1A1LOXL2CYP1A2ITGB3ITGB1 |
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-6245746-B1 | ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC | MICROCIDE PHARMACEUTICALS, INC. | 2001-06-12 | — | — | US | disclosed |
| WO-1999037667-A1 | EFFLUX PUMP INHIBITORS | MICROCIDE PHARMACEUTICALS, INC. (US) | 1999-07-29 | — | — | WO | disclosed |