Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 3/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | CTSC | P53634 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1914799 | 0.81 | CYP2C19 (0.53) | CTSKCTSSCYP2C19RAB9ACTSC | |
| SCHEMBL1914803 | 0.81 | CYP2C19 (0.53) | CTSKCTSSCYP2C19RAB9ACTSC | |
| SCHEMBL6376691 | 0.78 | CTSS (0.40) | CTSKCTSSCYP2C19RAB9ACYP1A2 | |
| SCHEMBL10916089 | 0.76 | NPC1 (0.49) | CTSKCTSSCYP2C19RAB9ACYP1A2 | |
| SCHEMBL6376502 | 0.76 | CTSS (0.46) | CTSKCTSSALDH1A1LMNAHTT | |
| SCHEMBL6376155 | 0.76 | CTSS (0.46) | CTSKCTSSRAB9ARIPK1NPC1 | |
| SCHEMBL6376162 | 0.76 | CTSS (0.46) | CTSKCTSSRAB9ARIPK1NPC1 | |
| SCHEMBL6376518 | 0.76 | CTSS (0.46) | CTSKCTSSRAB9ARIPK1NPC1 | |
| SCHEMBL487474 | 0.74 | CTSK (0.53) | CTSKCTSSCYP2C19RAB9ACTSC | |
| SCHEMBL6957306 | 0.74 | SMN1; SMN2 (0.47) | CTSKCTSSCYP2C19RAB9ARIPK1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1185524-B1 | 3-HETEROARYLALKYL SUBSTITUTED GABA ANALOGS | WARNER LAMBERT CO (US) | 2005-01-26 | — | — | EP | claimed |
| US-20040127724-A1 | 3-heteroarylalkyl substituted GABA analogs | YUEN PO-WAI (US) | 2004-07-01 | — | — | US | claimed |
| EP-1185524-B1 | 3-HETEROARYLALKYL SUBSTITUTED GABA ANALOGS | WARNER LAMBERT CO (US) | 2005-01-26 | — | — | EP | disclosed |
| US-6833385-B2 | Thiophene derivatives; epilepsy, faintness attacks, depression, anxiety, panic, pain; neurodegenerative, neuropathological and gastrointestinal disorders | WARNER-LAMBERT COMPANY | 2004-12-21 | — | — | US | disclosed |
| US-20040127724-A1 | 3-heteroarylalkyl substituted GABA analogs | YUEN PO-WAI (US) | 2004-07-01 | — | — | US | disclosed |
| US-6710190-B1 | ANTIEPILEPTIC, ANTIDEPRESSANT, ANXIOLYTIC, ANTIARTHRITIC, ANTIINFLAMMATORY AND ANALGESIC AGENTS; NEURODEGENERATIVE AND GASTROINTESTINAL DISORDERS; IRRITABLE BOWEL SYNDROME | WARNER-LAMBERT COMPANY | 2004-03-23 | — | — | US | disclosed |
| EP-1185524-A2 | 3-HETEROARYLALKYL SUBSTITUTED GABA ANALOGS | WARNER-LAMBERT COMPANY (US) | 2002-03-13 | — | — | EP | disclosed |
| WO-2000073296-A2 | 3-HETEROARYLALKYL SUBSTITUTED GABA ANALOGS | WARNER-LAMBERT COMPANY (US) | 2000-12-07 | — | — | 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-20040127724-A1 | 3-heteroarylalkyl substituted GABA analogs | GABRB3, GABRB1, GABRB2 | CTSK 923/4885CTSS 423/4885CYP2C19 243/4885 |
“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.