Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6076406 | 1.00 | NPC1 (0.54) | NPC1RAB9AKMT2ACA12CA9 | |
| SCHEMBL6417169 | 0.88 | ALDH1A1 (0.43) | NPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL6417170 | 0.88 | ALDH1A1 (0.43) | NPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL6419961 | 0.88 | AOC3 (0.55) | — | |
| SCHEMBL6419965 | 0.88 | AOC3 (0.55) | — | |
| SCHEMBL6418685 | 0.88 | LMNA (0.47) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL6418682 | 0.88 | LMNA (0.47) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL6416928 | 0.87 | ALDH1A1 (0.54) | KMT2ASMN1; SMN2MAPK1MEN1RXFP1 | |
| SCHEMBL6415851 | 0.87 | ALDH1A1 (0.50) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL6415854 | 0.87 | ALDH1A1 (0.50) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7109186-B2 | 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-09-19 | — | — | US | disclosed |
| 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-20040110804-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2004-06-10 | — | — | US | disclosed |
| US-20030181490-A1 | HIV integrase inhibitors | WALKER MICHAEL A (US) | 2003-09-25 | — | — | US | disclosed |
| EP-1322599-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-07-02 | — | — | EP | disclosed |
| US-20030027847-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2003-02-06 | — | — | US | disclosed |
| WO-2001096283-A9 | HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2002-10-17 | — | — | WO | disclosed |
| WO-2001096283-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-12-20 | — | — | 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 (4 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-20040110804-A1 | HIV integrase inhibitors | CDKN1A, SAMHD1, CTCF | NPC1 130/4885RAB9A 2755/4885KMT2A 736/4885 |
| US-20050043370-A1 | HIV integrase inhibitors | AKR1C3, CBR3, CBR1 | NPC1 200/4885RAB9A 3489/4885KMT2A 1208/4885 |
| US-20030181490-A1 | HIV integrase inhibitors | CBR1, CCR5, CCR1 | NPC1 115/4885RAB9A 3358/4885KMT2A 1330/4885 |
| US-20030027847-A1 | HIV integrase inhibitors | CBR1, CCR5, CCR1 | NPC1 115/4885RAB9A 3358/4885KMT2A 1330/4885 |
“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.