Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CXCR3 | P49682 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 6/20 | 0.36 |
| ▸ | RAB9A | P51151 | 6/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL62742 | 0.90 | CYP2C9 (0.38) | CYP2C9 | |
| SCHEMBL63505 | 0.88 | L3MBTL1 (0.39) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL53142 | 0.88 | CYP2C9 (0.45) | ALDH1A1NPC1RAB9ACYP2C9PKM | |
| SCHEMBL63890 | 0.86 | CYP2C9 (0.36) | SMN1; SMN2CYP2C9POLB | |
| SCHEMBL64273 | 0.84 | CYP2C9 (0.39) | ALDH1A1TSHRNPC1HPGDCYP2C9 | |
| SCHEMBL63901 | 0.83 | CYP2C9 (0.38) | NPC1RAB9ASMN1; SMN2CYP2C9MAPT | |
| SCHEMBL62746 | 0.82 | ABCB1 (0.39) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP2C9 | |
| SCHEMBL52278 | 0.82 | CYP2C9 (0.45) | NPC1RAB9ACYP2C9MEN1KMT2A | |
| SCHEMBL63534 | 0.82 | HTT (0.40) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL63538 | 0.82 | CYP2C9 (0.46) | ALDH1A1HPGDCYP2C9EPHX2MAPT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2280981-B1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-04-23 | — | — | EP | disclosed |
| US-8129398-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-06 | — | — | US | disclosed |
| 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 |
| US-20090253677-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2009-10-08 | — | — | US | disclosed |
| WO-2009117540-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-24 | — | — | WO | 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 | ALDH1A1 539/4885CXCR3 2131/4885TSHR 4845/4885 |
“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.