Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.68 |
| ▸ | RAB9A | P51151 | 9/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.68 |
| ▸ | HTT | P42858 | 3/20 | 0.68 |
| ▸ | POLB | P06746 | 1/20 | 0.68 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | MITF | O75030 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | PAX8 | Q06710 | 5/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 6/20 | 0.46 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL5696468 | 0.83 | LTB4R2 (0.48) | NPC1RAB9AALDH1A1NPSR1KMT2A | |
| SCHEMBL2345303 | 0.82 | ALDH1A1 (1.00) | NPC1RAB9AALDH1A1NPSR1KMT2A | |
| SCHEMBL10575306 | 0.80 | NPC1 (0.68) | NPC1RAB9AALDH1A1NPSR1KMT2A | |
| SCHEMBL4819693 | 0.80 | NPC1 (0.68) | NPC1RAB9AALDH1A1NPSR1KMT2A | |
| SCHEMBL6438589 | 0.77 | PTPN1 (0.49) | NPC1RAB9AALDH1A1NPSR1KMT2A | |
| SCHEMBL8034169 | 0.77 | PTPN1 (0.50) | NPC1ALDH1A1NPSR1KMT2AMEN1 | |
| SCHEMBL7195416 | 0.77 | TSHR (0.44) | NPC1RAB9AALDH1A1NPSR1KMT2A | |
| SCHEMBL7183167 | 0.76 | TSHR (0.46) | NPC1RAB9AALDH1A1NPSR1KMT2A | |
| SCHEMBL5491908 | 0.76 | AKR1C3 (0.46) | RAB9AALDH1A1NPSR1KMT2AMEN1 | |
| SCHEMBL8485704 | 0.75 | PTPN1 (0.42) | ALDH1A1MAPTPTPN1ALOX15ATM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9096546-B2 | Aryl- and heteroaryl-substituted tetrahydrobenzo-1,4-diazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin | ALBANY MOLECULAR RESEARCH, INC. (US) | 2015-08-04 | — | — | US | disclosed |
| US-20100137287-A1 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ALBANY MOLECULAR RESEARCH, INC. (US) | 2010-06-03 | — | — | US | disclosed |
| EP-2146722-A1 | ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR Technology, Inc. (US) | 2010-01-27 | — | — | EP | disclosed |
| WO-2008141081-A1 | ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR TECHNOLOGY, INC. (US) | 2008-11-20 | — | — | 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 (1 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-20100137287-A1 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ADRA1B, ADRB1, ADRA1D | NPC1 1071/4885RAB9A 420/4885ALDH1A1 372/4885 |
“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.