Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.58 |
| ▸ | CTSS | P25774 | 12/20 | 0.54 |
| ▸ | CTSK | P43235 | 11/20 | 0.54 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.53 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.51 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.51 |
| ▸ | CTSL | P07711 | 4/20 | 0.50 |
| ▸ | CTSB | P07858 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31407351 | 0.88 | TACR1 (0.60) | TACR1CTSSCTSKCACNA1BITGA4 | |
| SCHEMBL3376442 | 0.88 | TACR1 (0.60) | TACR1CTSSCTSKCACNA1BITGA4 | |
| SCHEMBL3376451 | 0.88 | TACR1 (0.60) | TACR1CTSSCTSKCACNA1BITGA4 | |
| SCHEMBL14974873 | 0.86 | TACR1 (0.59) | TACR1CTSSCTSKCACNA1BITGA4 | |
| SCHEMBL20661656 | 0.86 | TACR1 (0.59) | TACR1CTSSCTSKCACNA1BITGA4 | |
| SCHEMBL31418360 | 0.84 | CTSS (0.73) | CTSSCTSKCTSLCTSBMAPT | |
| SCHEMBL12851291 | 0.84 | CTSS (0.73) | CTSSCTSKCTSLCTSBSCN9A | |
| SCHEMBL8554176 | 0.82 | CTSS (0.74) | TACR1CTSSCTSKCTSLCTSB | |
| SCHEMBL6163323 | 0.81 | CTSS (0.73) | CTSSCTSKCTSLCTSB | |
| SCHEMBL6163823 | 0.81 | CTSS (0.73) | CTSSCTSKCTSLCTSB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6180611-B1 | INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR | DARWIN DISCOVERY, LTD. (GB) | 2001-01-30 | — | — | US | disclosed |
| US-5994312-A | Peptidyl compounds | DARWIN DISCOVERY, LTD. (GB) | 1999-11-30 | — | — | US | disclosed |