Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.68 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.68 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.68 |
| ▸ | RAB9A | P51151 | 9/20 | 0.65 |
| ▸ | NPC1 | O15118 | 8/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | HPGD | P15428 | 2/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.59 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.59 |
| ▸ | RELA | Q04206 | 3/20 | 0.59 |
| ▸ | BCHE | P06276 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL6481699 | 0.99 | CYP1A2 (0.66) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| Water SCHEMBL6481701 | 0.99 | CYP1A2 (0.66) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL14304931 | 0.91 | CYP1A2 (0.75) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL19837940 | 0.87 | CYP1A2 (0.66) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL14304386 | 0.84 | CYP1A2 (0.66) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL6482003 | 0.82 | CYP1A2 (0.56) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL6475758 | 0.82 | CYP1A2 (0.47) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| Water SCHEMBL6531942 | 0.81 | CYP1A2 (0.55) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| Water SCHEMBL6531940 | 0.81 | CYP1A2 (0.55) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL6476770 | 0.81 | HRH4 (0.51) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6974836-B2 | Diamines as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-12-13 | — | — | US | claimed |
| US-20030060459-A1 | Diamines as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-03-27 | — | — | US | claimed |
| US-6974836-B2 | Diamines as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-12-13 | — | — | US | disclosed |
| US-6906078-B2 | Method of using (H+/K+) ATPase inhibitors as antiviral agents | PHARMACIA CORPORATION (US) | 2005-06-14 | — | — | US | disclosed |
| US-20030060459-A1 | Diamines as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-03-27 | — | — | US | disclosed |
| US-20010047038-A1 | Method of using (H+/K+) ATPase inhibitors as antiviral agents | MOORMAN ALAN E (US) | 2001-11-29 | — | — | US | disclosed |
| US-5945425-A | ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE | G.D. SEARLE & CO. (US) | 1999-08-31 | — | — | US | disclosed |
| WO-1995029897-A1 | METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS | G.D. SEARLE & CO. (US) | 1995-11-09 | — | — | WO | disclosed |
| US-4772619-A | ANTIULCER AGENTS | G. D. SEARLE & CO. (US) | 1988-09-20 | — | — | 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-20010047038-A1 | Method of using (H+/K+) ATPase inhibitors as antiviral agents | ATP4A, ATP1A1, ATP1A4 | CYP1A2 2281/4885CYP2E1 691/4885CYP2C8 976/4885 |
| US-20030060459-A1 | Diamines as modulators of chemokine receptor activity | CCL11, CCR1, CCR2 | CYP1A2 3544/4885CYP2E1 2610/4885CYP2C8 4282/4885 |
“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.