Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 11/20 | 0.33 |
| ▸ | CTSK | P43235 | 9/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 2/20 | 0.32 |
| ▸ | CTSB | P07858 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL18226807 | 0.86 | CTSS (0.40) | ALDH1A1KMT2ACTSSCTSKAKT1 | |
| SCHEMBL18226806 | 0.86 | CTSS (0.40) | ALDH1A1KMT2ACTSSCTSKAKT1 | |
| SCHEMBL10148209 | 0.85 | PPARG (0.34) | ALDH1A1CTSSCTSKAKT1CTSL | |
| SCHEMBL3752128 | 0.79 | CYP1A2 (0.38) | ALDH1A1KMT2ACTSSCTSKAKT1 | |
| SCHEMBL22199794 | 0.79 | CTSK (0.46) | ALDH1A1KMT2ACTSSCTSKAKT1 | |
| SCHEMBL14984705 | 0.79 | CYP1A2 (0.38) | ALDH1A1KMT2ACTSSCTSKAKT1 | |
| SCHEMBL16108889 | 0.79 | CTSK (0.46) | ALDH1A1KMT2ACTSSCTSKAKT1 | |
| SCHEMBL10347068 | 0.79 | CYP1A2 (0.38) | ALDH1A1KMT2ACTSSCTSKAKT1 | |
| SCHEMBL356226 | 0.79 | CTSK (0.46) | ALDH1A1KMT2ACTSSCTSKAKT1 | |
| SCHEMBL30538844 | 0.78 | HDAC4 (0.37) | ALDH1A1KMT2ACTSSCTSKAKT1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8101661-B2 | Polar hydrophilic prodrugs and non-standard amino acid conjugates of amphetamine and other stimulants and processes for making and using the same | KEMPHARM, INC. (US) | 2012-01-24 | — | — | US | disclosed |
| US-20110213034-A1 | Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same | SHIRE LLC | 2011-09-01 | — | — | US | disclosed |
| US-20100292336-A1 | Polar Hydrophilic Prodrugs and Non-Standard Amino Acid Conjugates of Amphetamine and Other Stimulants and Processes for Making and Using the Same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-11-18 | — | — | US | disclosed |
| US-20100292337-A1 | Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same | SHIRE LLC | 2010-11-18 | — | — | US | disclosed |
| US-7772222-B2 | Polar hydrophilic prodrugs of amphetamine and other stimulants and processes for making and using the same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-10 | — | — | US | disclosed |
| US-20090239949-A1 | Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same | SHIRE LLC | 2009-09-24 | — | — | US | disclosed |
| US-20080207757-A1 | Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-08-28 | — | — | 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 (5 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-20100292337-A1 | Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same | SLC6A2, SLC6A3, SLC18A2 | ALDH1A1 1191/4885KMT2A 1364/4885CTSS 2420/4885 |
| US-20090239949-A1 | Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same | SLC6A2, SLC6A3, SLC18A2 | ALDH1A1 1191/4885KMT2A 1364/4885CTSS 2420/4885 |
| US-20100292336-A1 | Polar Hydrophilic Prodrugs and Non-Standard Amino Acid Conjugates of Amphetamine and Other Stimulants and Processes for Making and Using the Same | SLC18A2, SLC6A19, SLC6A2 | ALDH1A1 1308/4885KMT2A 906/4885CTSS 2715/4885 |
| US-20110213034-A1 | Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same | SLC6A3, SLC6A2, SLC6A15 | ALDH1A1 1748/4885KMT2A 985/4885CTSS 2888/4885 |
| US-20080207757-A1 | Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same | SLC6A2, SLC6A3, SLC18A2 | ALDH1A1 1191/4885KMT2A 1364/4885CTSS 2420/4885 |
“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.