Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CPA3 | P15088 | 2/20 | 0.50 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.50 |
| ▸ | ALPI | P09923 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | XIAP | P98170 | 1/20 | 0.48 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.48 |
| ▸ | ALPL | P05186 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALPG | P10696 | 1/20 | 0.47 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | LAP3 | P28838 | 3/20 | 0.45 |
| ▸ | CPA1 | P15085 | 2/20 | 0.45 |
| ▸ | ANPEP | P15144 | 2/20 | 0.45 |
| ▸ | CPB1 | P15086 | 1/20 | 0.45 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1833632 | 0.85 | EPHX1 (0.55) | TRPA1CYP1A2CPA3FOLH1ALPI | |
| SCHEMBL4315598 | 0.77 | CPA1 (0.62) | CYP1A2CPA3FOLH1ALPIPKM | |
| SCHEMBL9407376 | 0.76 | EPHX1 (0.52) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL206138 | 0.76 | TRPA1 (0.50) | TRPA1CYP1A2ALPLPOLBALPG | |
| SCHEMBL1552921 | 0.76 | TRPA1 (0.54) | TRPA1CYP1A2CPA3ALPIPKM | |
| SCHEMBL9122735 | 0.76 | TRPA1 (0.54) | TRPA1CYP1A2CPA3FOLH1ALPI | |
| SCHEMBL12708159 | 0.76 | TRPA1 (0.54) | TRPA1CYP1A2CPA3ALPIPKM | |
| SCHEMBL17418354 | 0.75 | TRPA1 (0.58) | TRPA1CYP1A2CPA3ALPIPKM | |
| SCHEMBL10338651 | 0.75 | TRPA1 (0.58) | TRPA1CYP1A2CPA3ALPIPKM | |
| SCHEMBL5610157 | 0.75 | CYP1A2 (0.56) | TRPA1CYP1A2CPA3FOLH1ALPI |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2042502-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2009-04-01 | — | — | EP | disclosed |
| EP-1544199-B1 | NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC (JP) | 2008-10-15 | — | — | EP | disclosed |
| US-20080161311-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. | 2008-07-03 | — | — | US | disclosed |
| US-7211572-B2 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2007-05-01 | — | — | US | disclosed |
| US-20060052361-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. | 2006-03-09 | — | — | US | disclosed |
| EP-1544199-A1 | NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2005-06-22 | — | — | EP | disclosed |
| US-20050054645-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2005-03-10 | — | — | 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-20050054645-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | NNMT, PNP, DNTT | TRPA1 4832/4885CYP1A2 1120/4885CPA3 3524/4885 |
| US-20060052361-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | NNMT, PNP, DNTT | TRPA1 4832/4885CYP1A2 1120/4885CPA3 3524/4885 |
| US-20080161311-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | DNTT, PNP, NNMT | TRPA1 4718/4885CYP1A2 908/4885CPA3 2748/4885 |
“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.