Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | TAS1R3 | Q7RTX0 | 8/20 | 0.53 |
| ▸ | TAS1R1 | Q7RTX1 | 8/20 | 0.53 |
| ▸ | TAS1R2 | Q8TE23 | 8/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.51 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.51 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 2/20 | 0.49 |
| ▸ | CNR2 | P34972 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4066910 | 0.94 | TAS1R3 (0.49) | ALDH1A1TSHRHTTTAS1R3TAS1R1 | |
| SCHEMBL4060243 | 0.94 | TAS1R3 (0.49) | ALDH1A1TSHRHTTTAS1R3TAS1R1 | |
| SCHEMBL4069001 | 0.79 | FEN1 (0.47) | ALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL4067984 | 0.78 | MTNR1A (0.43) | TAOK1TAOK3P2RX7CNR1CNR2 | |
| SCHEMBL2109726 | 0.78 | ALDH1A1 (0.61) | ALDH1A1TAS1R3TAS1R1P2RX7LMNA | |
| SCHEMBL4062971 | 0.78 | TAS1R3 (0.58) | ALDH1A1TSHRTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL4061976 | 0.77 | FEN1 (0.44) | ALDH1A1NPC1RAB9AP2RX7 | |
| SCHEMBL4061981 | 0.77 | FEN1 (0.44) | ALDH1A1NPC1RAB9AP2RX7 | |
| SCHEMBL4061983 | 0.77 | FEN1 (0.44) | ALDH1A1NPC1RAB9AP2RX7 | |
| SCHEMBL4059939 | 0.77 | CNR1 (0.47) | NPC1TAOK1TAOK3CNR1CNR2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6921759-B2 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | MERCK & CO., INC. (US) | 2005-07-26 | — | — | US | claimed |
| EP-1326865-A2 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2003-07-16 | — | — | EP | claimed |
| US-20030055071-A1 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | MERCK SHARP & DOHME CORP. | 2003-03-20 | — | — | US | claimed |
| WO-2002030930-A2 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2002-04-18 | — | — | WO | claimed |
| EP-1326865-B1 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-05-06 | — | — | EP | disclosed |
| EP-1326865-B1 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-05-06 | — | — | EP | disclosed |
| US-20050176718-A1 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | ANTHONY NEVILLE J (US) | 2005-08-11 | — | — | US | disclosed |
| US-6921759-B2 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | MERCK & CO., INC. (US) | 2005-07-26 | — | — | US | disclosed |
| EP-1326865-A2 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2003-07-16 | — | — | EP | disclosed |
| US-20030055071-A1 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | MERCK SHARP & DOHME CORP. | 2003-03-20 | — | — | US | disclosed |
| WO-2002030930-A2 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2002-04-18 | — | — | 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 (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-20030055071-A1 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | POLI, DUT, NAAA | ALDH1A1 2855/4885TSHR 4788/4885HTT 3904/4885 |
| US-20050176718-A1 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | POLI, DUT, NAAA | ALDH1A1 2855/4885TSHR 4788/4885HTT 3904/4885 |
“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.