Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 3/20 | 0.36 |
| ▸ | CES1 | P23141 | 3/20 | 0.36 |
| ▸ | EPRS1 | P07814 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | FLT1 | P17948 | 1/20 | 0.31 |
| ▸ | FLT4 | P35916 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL852651 | 0.82 | EPRS1 (0.44) | DGAT1CES2CES1EPRS1SMN1; SMN2 | |
| SCHEMBL6743864 | 0.82 | DGAT1 (0.40) | ALDH1A1DGAT1CES2CES1EPRS1 | |
| SCHEMBL28338846 | 0.82 | ALDH1A1 (0.48) | ALDH1A1ALOX15DGAT1CES2CES1 | |
| SCHEMBL4622385 | 0.80 | ALDH1A1 (0.47) | ALDH1A1ALOX15CES2CES1EPRS1 | |
| SCHEMBL3454698 | 0.80 | NCEH1 (0.43) | ALDH1A1ALOX15 | |
| SCHEMBL106326 | 0.78 | ALDH1A1 (0.45) | ALDH1A1ALOX15CES2CES1NPC1 | |
| SCHEMBL16122470 | 0.78 | ALDH1A1 (0.45) | ALDH1A1ALOX15DGAT1CES2CES1 | |
| SCHEMBL31719911 | 0.78 | NPC1 (0.42) | ALDH1A1DGAT1CES2CES1NPC1 | |
| SCHEMBL1482981 | 0.78 | NPC1 (0.42) | ALDH1A1DGAT1CES2CES1NPC1 | |
| SCHEMBL28221635 | 0.76 | ALDH1A1 (0.47) | ALDH1A1ALOX15DGAT1CES2CES1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8846920-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2014-09-30 | — | — | US | disclosed |
| US-20100331506-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2010-12-30 | — | — | US | disclosed |
| US-7820822-B2 | fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon | MERCK PATENT GMBH (DE) | 2010-10-26 | — | — | US | disclosed |
| US-20070034863-A1 | fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon | UDC IRELAND LIMITED (IE) | 2007-02-15 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100331506-A1 | METAL COMPLEXES | SOD1, AP1M1, AP2M1 | ALDH1A1 864/4885ALOX15 2888/4885DGAT1 3396/4885 |
| US-20070034863-A1 | fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon | NISCH, CISD1, AFF1 | ALDH1A1 296/4885ALOX15 2353/4885DGAT1 1337/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.