Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.40 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHKA | P35790 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM6B | O15054 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 4/20 | 0.36 |
| ▸ | CTSL | P07711 | 3/20 | 0.36 |
| ▸ | CTSS | P25774 | 3/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3342746 | 0.85 | NR4A2 (0.48) | NR4A2KMT2AALDH1A1HDAC3HDAC4 | |
| SCHEMBL3342750 | 0.85 | NR4A2 (0.48) | NR4A2KMT2AALDH1A1HDAC3HDAC4 | |
| SCHEMBL7371252 | 0.78 | NR4A2 (0.49) | NR4A2CYP19A1AAK1AKR1C3AKR1C2 | |
| SCHEMBL7371249 | 0.78 | NR4A2 (0.49) | NR4A2CYP19A1AAK1AKR1C3AKR1C2 | |
| SCHEMBL27510989 | 0.78 | CYP19A1 (0.40) | NR4A2CYP19A1AAK1GPR88AKR1C3 | |
| SCHEMBL14843771 | 0.75 | CHRM5 (0.42) | AKR1C3AKR1C2CHRM5CHKAKDM4E | |
| SCHEMBL7160817 | 0.73 | CTSK (0.47) | CYP19A1AAK1KDM4EKMT2ACTSB | |
| SCHEMBL7244539 | 0.73 | CTSK (0.47) | CYP19A1AAK1KDM4EKMT2ACTSB | |
| SCHEMBL17685101 | 0.72 | SLC6A2 (0.41) | NR4A2KMT2AALDH1A1LARS1SMN1; SMN2 | |
| Lactic Acid SCHEMBL7518008 | 0.70 | CHRM5 (0.61) | CHRM5CHKAKDM4EKMT2AALDH1A1 |
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-6117841-A | USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY | WARNER-LAMBERT COMPANY (US) | 2000-09-12 | — | — | US | claimed |
| WO-1998054123-A1 | SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS | WARNER-LAMBERT COMPANY (US) | 1998-12-03 | — | — | WO | claimed |
| US-6117841-A | USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY | WARNER-LAMBERT COMPANY (US) | 2000-09-12 | — | — | US | disclosed |
| WO-1998054123-A1 | SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS | WARNER-LAMBERT COMPANY (US) | 1998-12-03 | — | — | WO | disclosed |