Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 16/20 | 0.47 |
| ▸ | TSHR | P16473 | 11/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL62150 | 0.83 | CYP3A4 (0.41) | CYP3A4TSHRALDH1A1SMN1; SMN2CASP1 | |
| SCHEMBL52055 | 0.83 | CTSS (0.46) | CYP3A4TSHRALDH1A1SMN1; SMN2CASP1 | |
| SCHEMBL87197 | 0.82 | CYP3A4 (0.42) | CYP3A4TSHRALDH1A1SMN1; SMN2CASP1 | |
| SCHEMBL2055529 | 0.69 | ALDH1A1 (0.61) | TSHRALDH1A1MEN1KMT2ACTSK | |
| SCHEMBL10802836 | 0.68 | CYP3A4 (0.49) | CYP3A4TSHRALDH1A1SMN1; SMN2CASP1 | |
| SCHEMBL10798176 | 0.68 | CYP3A4 (0.51) | CYP3A4TSHRALDH1A1SMN1; SMN2CASP1 | |
| SCHEMBL6091673 | 0.67 | CTRB1 (0.53) | CYP3A4TSHRALDH1A1SMN1; SMN2CASP1 | |
| SCHEMBL22068708 | 0.67 | ALDH1A1 (0.49) | CYP3A4TSHRALDH1A1SMN1; SMN2CASP1 | |
| SCHEMBL22698689 | 0.67 | ATM (0.56) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL2605312 | 0.67 | CTSK (0.48) | CYP3A4TSHRALDH1A1SMN1; SMN2CASP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8129398-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-06 | — | — | US | disclosed |
| US-20090253677-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2009-10-08 | — | — | 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 (1 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-20090253677-A1 | HIV Integrase Inhibitors | DNTT, POLB, UNG | CYP3A4 319/4885TSHR 4845/4885ALDH1A1 539/4885 |
“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.