Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.67 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.67 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HRH1 | P35367 | 1/20 | 0.49 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | BCL2 | P10415 | 1/20 | 0.45 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31265560 | 0.85 | SLC6A4 (0.57) | SLC6A2SLC6A4SLC6A3CYP3A4KDM4E | |
| SCHEMBL8016874 | 0.85 | SLC6A4 (0.57) | SLC6A2SLC6A4SLC6A3CYP3A4KDM4E | |
| SCHEMBL6419998 | 0.84 | SLC6A4 (0.64) | SLC6A2SLC6A4SLC6A3CYP3A4KDM4E | |
| SCHEMBL11786282 | 0.83 | KDM4E (0.56) | SLC6A2SLC6A4SLC6A3CYP3A4KDM4E | |
| SCHEMBL972711 | 0.83 | CALM1 (0.69) | CYP3A4HTR2AHRH1CALM1L3MBTL1 | |
| SCHEMBL9857931 | 0.81 | KDM4E (0.54) | SLC6A2SLC6A4SLC6A3CYP3A4KDM4E | |
| N-Benzylmethylamine SCHEMBL9346326 | 0.80 | CYP3A4 (0.90) | CYP3A4KDM4EMAPTCALM1L3MBTL1 | |
| N-Benzylmethylamine SCHEMBL837568 | 0.80 | CYP3A4 (0.90) | CYP3A4KDM4EMAPTCALM1L3MBTL1 | |
| SCHEMBL6906203 | 0.80 | THRB (0.60) | SLC6A2SLC6A4SLC6A3CYP3A4KDM4E | |
| SCHEMBL14207449 | 0.78 | TAAR1 (0.65) | SLC6A2SLC6A4SLC6A3CYP3A4KDM4E |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010066847-A1 | NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS | CELLVIR (FR) | 2010-06-17 | — | — | WO | disclosed |
| CN-1239472-C | HIV integrase inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2006-02-01 | — | — | CN | 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-20030181490-A1 | HIV integrase inhibitors | WALKER MICHAEL A (US) | 2003-09-25 | — | — | US | disclosed |
| CN-1441775-A | HIV integrase inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2003-09-10 | — | — | CN | 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 (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-20050043370-A1 | HIV integrase inhibitors | AKR1C3, CBR3, CBR1 | SLC6A2 2616/4885SLC6A4 3455/4885SLC6A3 1642/4885 |
| US-20030181490-A1 | HIV integrase inhibitors | CBR1, CCR5, CCR1 | SLC6A2 3427/4885SLC6A4 3867/4885SLC6A3 2433/4885 |
| US-20030027847-A1 | HIV integrase inhibitors | CBR1, CCR5, CCR1 | SLC6A2 3427/4885SLC6A4 3867/4885SLC6A3 2433/4885 |
“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.