Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.64 |
| ▸ | DRD2 | P14416 | 4/20 | 0.58 |
| ▸ | DRD4 | P21917 | 4/20 | 0.58 |
| ▸ | HTR1A | P08908 | 4/20 | 0.58 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.58 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.58 |
| ▸ | HTR1B | P28222 | 2/20 | 0.58 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7409161 | 0.93 | HTR1A (0.65) | KDM4EDRD2DRD4HTR1AADRA1D | |
| Hydrochloric Acid SCHEMBL8055394 | 0.87 | HTR1A (0.71) | KDM4EDRD2DRD4HTR1AADRA1D | |
| SCHEMBL19477464 | 0.86 | PTPN1 (0.66) | KDM4EDRD2DRD4HTR1AADRA1D | |
| Hydrochloric Acid SCHEMBL8053768 | 0.83 | DRD2 (0.70) | KDM4EDRD2DRD4HTR1AADRA1D | |
| SCHEMBL21453106 | 0.83 | DRD2 (0.81) | DRD2DRD4HTR1BDRD3KMT2A | |
| SCHEMBL14384305 | 0.83 | KDM4E (0.66) | KDM4EDRD2DRD4PTPN1ALDH1A1 | |
| SCHEMBL345500 | 0.82 | HTR1A (0.65) | KDM4EDRD2DRD4HTR1AADRA1D | |
| 1,2-Dibutoxybenzene SCHEMBL29428927 | 0.81 | CYP1A2 (0.72) | KDM4EHTR1BKMT2ACYP1A2CYP2C9 | |
| 1,2-Dibutoxybenzene SCHEMBL1226749 | 0.81 | CYP1A2 (0.72) | KDM4EHTR1BKMT2ACYP1A2CYP2C9 | |
| SCHEMBL10989955 | 0.81 | KDM4E (0.80) | KDM4EALDH1A1SMN1; SMN2KMT2AADRB2 |
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-4069344-A | INSECTICIDAL SUBSTITUTED PHENYL DERIVATIVES | CIBA-GEIGY CORPORATION (US) | 1978-01-17 | — | — | US | claimed |
| US-RE29616-E | DEHYDROHALOGENATION, ACID CATALYST | GENERAL ELECTRIC COMPANY (US) | 1978-04-25 | — | — | US | disclosed |