Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.31 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.31 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2524182 | 0.99 | NPC1 (0.40) | NPC1RAB9ATP53CYP1A2NR1I2 | |
| SCHEMBL12238848 | 0.82 | NPC1 (0.39) | NPC1RAB9ATP53NR1I2P2RX7 | |
| SCHEMBL21337802 | 0.77 | KCNMA1 (0.47) | NPC1RAB9ACYP1A2LMNA | |
| SCHEMBL2526791 | 0.77 | NPC1 (0.43) | NPC1RAB9ATP53NR1I2PTGS2 | |
| SCHEMBL52502 | 0.77 | TSHR (0.34) | NPC1RAB9ACYP1A2MPOMAPK14 | |
| SCHEMBL12530267 | 0.76 | NPC1 (0.49) | NPC1RAB9ATP53NR1I2PTGS2 | |
| SCHEMBL12530508 | 0.76 | NPC1 (0.64) | NPC1RAB9ATP53CYP1A2NR1I2 | |
| Hydrochloric Acid SCHEMBL2530275 | 0.75 | TSHR (0.33) | CYP1A2MPOMAPK14RXRAGRIN1 | |
| SCHEMBL13924968 | 0.73 | PDE10A (0.36) | CYP1A2MPO | |
| SCHEMBL2523956 | 0.73 | MAPT (0.43) | NPC1RAB9ATP53NR1I2LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8039458-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-10-18 | — | — | US | disclosed |
| US-20070129379-A1 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-06-07 | — | — | US | disclosed |
| US-20070111984-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-05-17 | — | — | 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 (2 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-20070129379-A1 | HIV INTEGRASE INHIBITORS | TYMP, POLN, IMPDH1 | NPC1 919/4885RAB9A 3775/4885TP53 2455/4885 |
| US-20070111984-A1 | HIV integrase inhibitors | TYMP, POLN, IMPDH1 | NPC1 919/4885RAB9A 3775/4885TP53 2455/4885 |
“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.