Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | ITK | Q08881 | 1/20 | 0.35 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6413074 | 1.00 | NPSR1 (0.41) | NPSR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6412037 | 0.88 | CYP1A2 (0.44) | NPSR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6412044 | 0.88 | CYP1A2 (0.44) | NPSR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6076896 | 0.87 | NPSR1 (0.40) | NPSR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6076892 | 0.87 | NPSR1 (0.40) | NPSR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6984988 | 0.86 | NPSR1 (0.42) | NPSR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6984991 | 0.86 | NPSR1 (0.42) | NPSR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6077170 | 0.82 | TDP1 (0.47) | EGFRLMNAITKALDH1A1 | |
| SCHEMBL6077173 | 0.82 | TDP1 (0.47) | EGFRLMNAITKALDH1A1 | |
| SCHEMBL6418747 | 0.81 | MEN1 (0.52) | EGFRBTKALDH1A1HPGD |
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-20050043370-A1 | HIV integrase inhibitors | WALKER MICHAEL A (US) | 2005-02-24 | — | — | US | disclosed |
| US-6803378-B2 | FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC | BRISTOL-MYERS SQUIBB COMPANY | 2004-10-12 | — | — | US | disclosed |
| US-20030181490-A1 | HIV integrase inhibitors | WALKER MICHAEL A (US) | 2003-09-25 | — | — | US | disclosed |
| US-20030027847-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2003-02-06 | — | — | 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 (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-20050043370-A1 | HIV integrase inhibitors | AKR1C3, CBR3, CBR1 | NPSR1 2259/4885CYP1A2 126/4885CYP2D6 176/4885 |
| US-20030181490-A1 | HIV integrase inhibitors | CBR1, CCR5, CCR1 | NPSR1 4179/4885CYP1A2 153/4885CYP2D6 172/4885 |
| US-20030027847-A1 | HIV integrase inhibitors | CBR1, CCR5, CCR1 | NPSR1 4179/4885CYP1A2 153/4885CYP2D6 172/4885 |
“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.