Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 7/20 | 0.65 |
| ▸ | TNF | P01375 | 3/20 | 0.65 |
| ▸ | ACHE | P22303 | 2/20 | 0.65 |
| ▸ | USP2 | O75604 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.65 |
| ▸ | PDE4A | P27815 | 1/20 | 0.65 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.65 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.65 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.65 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.65 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.56 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.56 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.54 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Lisofylline SCHEMBL6879511 | 1.00 | ADORA2B (0.65) | ADORA2BTNFACHEUSP2LMNA | |
| Lisofylline SCHEMBL6878616 | 1.00 | ADORA2B (0.65) | ADORA2BTNFACHEUSP2LMNA | |
| Lisofylline SCHEMBL15423008 | 0.94 | ADORA2B (0.58) | ADORA2BTNFACHEUSP2LMNA | |
| Lisofylline SCHEMBL15341003 | 0.94 | ADORA2B (0.58) | ADORA2BTNFACHEUSP2LMNA | |
| Lisofylline SCHEMBL15341009 | 0.94 | ADORA2B (0.58) | ADORA2BTNFACHEUSP2LMNA | |
| Lisofylline SCHEMBL15423038 | 0.94 | ADORA2B (0.58) | ADORA2BTNFACHEUSP2LMNA | |
| Lisofylline SCHEMBL173236 | 0.93 | ADORA2B (0.62) | ADORA2BTNFACHEUSP2LMNA | |
| Pcs-499 SCHEMBL173235 | 0.93 | ADORA2B (0.62) | ADORA2BTNFACHEUSP2LMNA | |
| Lisofylline SCHEMBL6876106 | 0.93 | ADORA2B (0.62) | ADORA2BTNFACHEUSP2LMNA | |
| Lisofylline SCHEMBL6879564 | 0.92 | ADORA2B (0.63) | ADORA2BTNFACHEUSP2LMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130280768-A1 | PROCESS FOR PREPARING AN ENANTIOMERICALLY ENRICHED, DEUTERATED SECONDARY ALCOHOL FROM A CORRESPONDING KETONE WITHOUT REDUCING DEUTERIUM INCORPORATION | CONCERT PHARMACEUTICALS, INC. (US) | 2013-10-24 | — | — | US | disclosed |
| US-8263601-B2 | Deuterium substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2012-09-11 | — | — | US | disclosed |
| US-20120202830-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. | 2012-08-09 | — | — | US | disclosed |
| US-20110077255-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. | 2011-03-31 | — | — | US | disclosed |
| US-20110059995-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS INC. | 2011-03-10 | — | — | US | disclosed |
| US-20110053961-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. | 2011-03-03 | — | — | 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 (4 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-20110077255-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | ADORA2B 60/4885TNF 583/4885ACHE 945/4885 |
| US-20110053961-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | ADORA2B 60/4885TNF 583/4885ACHE 945/4885 |
| US-20120202830-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | ADORA2B 60/4885TNF 583/4885ACHE 945/4885 |
| US-20110059995-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | ADORA2B 60/4885TNF 583/4885ACHE 945/4885 |
“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.