Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 4/20 | 0.45 |
| ▸ | CTSK | P43235 | 6/20 | 0.41 |
| ▸ | CTSS | P25774 | 5/20 | 0.41 |
| ▸ | CTSL | P07711 | 7/20 | 0.41 |
| ▸ | CTSB | P07858 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | CTSH | P09668 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10338258 | 1.00 | CTSC (0.45) | CTSCCTSKCTSSCTSLCTSB | |
| SCHEMBL8770105 | 0.87 | CTSL (0.45) | CTSCCTSKCTSSCTSLCTSB | |
| SCHEMBL22885981 | 0.86 | CTSS (0.57) | CTSKCTSSCTSLCTSB | |
| SCHEMBL8486300 | 0.79 | TSHR (0.49) | CTSKCTSLCTSBTSHRNPC1 | |
| SCHEMBL7298922 | 0.75 | CA2 (0.47) | TSHRNPC1RAB9AHTT | |
| SCHEMBL8474977 | 0.74 | CTSS (0.55) | CTSKCTSSCTSLCTSB | |
| SCHEMBL8474971 | 0.74 | CTSS (0.55) | CTSKCTSSCTSLCTSB | |
| SCHEMBL8490546 | 0.74 | HTT (0.47) | CTSKCTSLCTSBTSHRNPC1 | |
| SCHEMBL8490932 | 0.74 | HTT (0.47) | CTSKCTSLCTSBTSHRNPC1 | |
| SCHEMBL18662370 | 0.74 | CTSS (0.54) | CTSKCTSSCTSLCTSB |
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 |
|---|---|---|---|---|---|---|---|
| JP-2017165-A | — | — | None | — | — | JP | disclosed |
| JP-H0217165-A | (2S,3R)-3-AMINO-2-ACYLOXY-4-PHENYLBUTYRONITRILE DERIVATIVE AND PRODUCTION THEREOF | SAGAMI CHEM RES CENTER | 1990-01-22 | — | — | JP | disclosed |