Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 4/20 | 0.32 |
| ▸ | NOS3 | P29474 | 3/20 | 0.32 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | ACR | P10323 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.31 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3795065 | 1.00 | PARP10 (0.35) | PARP10PARP3KDM4ENPC1RAB9A | |
| SCHEMBL3376998 | 0.81 | NOS1 (0.47) | NOS1NOS3PRSS1NOS2 | |
| SCHEMBL17560326 | 0.72 | HTR3E (0.55) | NPC1RAB9AMAPTSMN1; SMN2NOS1 | |
| SCHEMBL3798328 | 0.71 | MIF (0.43) | KDM4ENPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL7546488 | 0.71 | CYP2A6 (0.46) | PARP10PARP3KDM4ENPC1RAB9A | |
| SCHEMBL3261042 | 0.70 | CYP2A6 (0.48) | KDM4ENPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL12483135 | 0.69 | HDAC1 (0.31) | — | |
| SCHEMBL6813444 | 0.69 | HDAC1 (0.31) | — | |
| SCHEMBL8359852 | 0.68 | HDAC6 (0.33) | — | |
| SCHEMBL4838461 | 0.68 | ALDH1A1 (0.47) | KDM4ENPC1RAB9AMAPTALDH1A1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1752455-B1 | Chemokine receptor binding heterocyclic compounds | ANORMED INC (CA) | 2010-11-10 | — | — | EP | disclosed |
| US-7807694-B2 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION (US) | 2010-10-05 | — | — | US | disclosed |
| EP-1752455-A2 | Chemokine receptor binding heterocyclic compounds | ANORMED INC. (CA) | 2007-02-14 | — | — | EP | disclosed |
| US-20060252795-A1 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION | 2006-11-09 | — | — | US | disclosed |
| US-7091217-B2 | Chemokine receptor binding heterocyclic compounds | ANORMED, INC. (CA) | 2006-08-15 | — | — | US | disclosed |
| EP-1317451-B1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC (CA) | 2006-08-09 | — | — | EP | disclosed |
| US-20040171638-A1 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION | 2004-09-02 | — | — | US | disclosed |
| US-6734191-B2 | PREFERABLY TERTIARY AMINES COMPRISING TETRAHYDROQUINOLINE AND BENZIMIDAZOLE; USE TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND FELINE IMMUNODEFICIENCY VIRUS (FIV) | ANORMED, INC. (CA) | 2004-05-11 | — | — | US | disclosed |
| EP-1317451-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2003-06-11 | — | — | EP | disclosed |
| US-20030028022-A1 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION | 2003-02-06 | — | — | US | disclosed |
| WO-2002034745-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2002-05-02 | — | — | WO | 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 (3 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-20060252795-A1 | Chemokine receptor binding heterocyclic compounds | CCR5, CXCR3, CCR2 | PARP10 1983/4885PARP3 1736/4885KDM4E 4775/4885 |
| US-20040171638-A1 | Chemokine receptor binding heterocyclic compounds | CCR5, CXCR3, CCR2 | PARP10 1983/4885PARP3 1736/4885KDM4E 4775/4885 |
| US-20030028022-A1 | Chemokine receptor binding heterocyclic compounds | CCR5, CXCR3, CCR2 | PARP10 1983/4885PARP3 1736/4885KDM4E 4775/4885 |
“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.