Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.53 |
| ▸ | TDO2 | P48775 | 1/20 | 0.53 |
| ▸ | KMO | O15229 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | BTK | Q06187 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21173250 | 0.92 | NPC1 (0.58) | NPC1RAB9AIDO1TDO2CYP1A2 | |
| SCHEMBL17413708 | 0.92 | NPC1 (0.51) | NPC1RAB9AIDO1TDO2KMO | |
| SCHEMBL17343432 | 0.92 | NPC1 (0.47) | NPC1RAB9AIDO1TDO2KMO | |
| SCHEMBL129816 | 0.90 | NPC1 (0.56) | NPC1RAB9AIDO1TDO2CYP1A2 | |
| SCHEMBL17944930 | 0.90 | NPC1 (0.54) | NPC1RAB9AIDO1TDO2KMO | |
| SCHEMBL17367803 | 0.90 | MEN1 (0.49) | NPC1RAB9AIDO1TDO2KMO | |
| SCHEMBL17343378 | 0.90 | NPC1 (0.46) | NPC1RAB9AIDO1TDO2KMO | |
| SCHEMBL17944936 | 0.89 | NPC1 (0.53) | NPC1RAB9AIDO1TDO2KDM4E | |
| SCHEMBL17944926 | 0.89 | NPC1 (0.53) | NPC1RAB9AIDO1TDO2KDM4E | |
| SCHEMBL18858310 | 0.89 | NPC1 (0.53) | NPC1RAB9AIDO1TDO2KDM4E |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9227966-B2 | Antimicrobial agents | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2016-01-05 | — | — | US | disclosed |
| US-9227966-B2 | Antimicrobial agents | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2016-01-05 | — | — | US | disclosed |
| US-9227966-B2 | Antimicrobial agents | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2016-01-05 | — | — | US | disclosed |
| US-20140315939-A1 | ANTIMICROBIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2014-10-23 | — | — | US | disclosed |
| US-20140315939-A1 | ANTIMICROBIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2014-10-23 | — | — | US | disclosed |
| US-20140315939-A1 | ANTIMICROBIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2014-10-23 | — | — | US | disclosed |
| US-20120059026-A1 | ANTIMICROBIAL AGENTS | UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) | 2012-03-08 | — | — | US | disclosed |
| US-20120059026-A1 | ANTIMICROBIAL AGENTS | UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) | 2012-03-08 | — | — | US | disclosed |
| US-20120059026-A1 | ANTIMICROBIAL AGENTS | UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) | 2012-03-08 | — | — | US | disclosed |
| WO-2010127307-A1 | ANTIMICROBIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2010-11-04 | — | — | WO | disclosed |
| WO-2010127307-A1 | ANTIMICROBIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2010-11-04 | — | — | WO | disclosed |
| US-7429426-B2 | Organometallic compounds for use in electroluminescent devices | THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2008-09-30 | — | — | US | disclosed |
| US-7429426-B2 | Organometallic compounds for use in electroluminescent devices | THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2008-09-30 | — | — | 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-20120059026-A1 | ANTIMICROBIAL AGENTS | ZYX, Q6ZSR9, ZC3HAV1L | NPC1 866/4885RAB9A 1144/4885IDO1 588/4885 |
| US-20140315939-A1 | ANTIMICROBIAL AGENTS | ZYX, Q6ZSR9, ZC3HAV1L | NPC1 799/4885RAB9A 964/4885IDO1 864/4885 |
“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.