Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 3/20 | 0.40 |
| ▸ | WNT3A | P56704 | 3/20 | 0.40 |
| ▸ | FAAH | O00519 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | UBE2M | P61081 | 1/20 | 0.33 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6413247 | 1.00 | CTNNB1 (0.40) | CTNNB1WNT3AFAAHKDM4EALDH1A1 | |
| SCHEMBL6413796 | 0.80 | HPGD (0.52) | ALDH1A1HSP90AA1 | |
| SCHEMBL6413801 | 0.80 | HPGD (0.52) | ALDH1A1HSP90AA1 | |
| SCHEMBL6411624 | 0.78 | CTNNB1 (0.36) | CTNNB1WNT3AFAAHKDM4EALDH1A1 | |
| SCHEMBL6411622 | 0.78 | CTNNB1 (0.36) | CTNNB1WNT3AFAAHKDM4EALDH1A1 | |
| SCHEMBL6417149 | 0.77 | RIPK1 (0.44) | KDM4EALDH1A1HTT | |
| SCHEMBL6417152 | 0.77 | RIPK1 (0.44) | KDM4EALDH1A1HTT | |
| SCHEMBL6412486 | 0.75 | EGFR (0.37) | — | |
| SCHEMBL6412491 | 0.75 | EGFR (0.37) | — | |
| SCHEMBL6419288 | 0.74 | TDP1 (0.51) | ALDH1A1 |
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 | CTNNB1 1259/4885WNT3A 1801/4885FAAH 1635/4885 |
| US-20030181490-A1 | HIV integrase inhibitors | CBR1, CCR5, CCR1 | CTNNB1 1054/4885WNT3A 3325/4885FAAH 1137/4885 |
| US-20030027847-A1 | HIV integrase inhibitors | CBR1, CCR5, CCR1 | CTNNB1 1054/4885WNT3A 3325/4885FAAH 1137/4885 |
“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.