Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6030733 | 0.85 | CA1 (0.44) | CA1CA2CA9NPC1RAB9A | |
| SCHEMBL1101315 | 0.83 | CA1 (0.48) | CA1CA2CA9NPC1RAB9A | |
| SCHEMBL8456049 | 0.83 | ALDH1A1 (0.42) | CA1CA2CA9SMN1; SMN2TDP1 | |
| Hydrochloric Acid SCHEMBL7383997 | 0.75 | CA1 (0.42) | CA1CA2CA9NPC1RAB9A | |
| SCHEMBL28785008 | 0.75 | NPC1 (0.44) | CA1CA2CA9NPC1RAB9A | |
| SCHEMBL28596361 | 0.74 | TSHR (0.43) | CA1CA2CA9SMN1; SMN2CYP2A6 | |
| SCHEMBL8290989 | 0.73 | TAAR1 (0.40) | SMN1; SMN2TDP1CYP2A6HTR2ATAAR1 | |
| SCHEMBL19974320 | 0.73 | CA1 (0.43) | CA1CA2CA9NPC1RAB9A | |
| SCHEMBL2817046 | 0.72 | TDP1 (0.47) | CA1CA2CA9NPC1RAB9A | |
| SCHEMBL4406119 | 0.72 | IDO1 (0.55) | NPC1RAB9ASMN1; SMN2CYP2A6HTR2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0994707-A4 | INHIBITORS OF NAALADASE ENZYME ACTIVITY | GUILFORD PHARM INC (US) | 2001-11-14 | — | — | EP | disclosed |
| EP-0994707-A1 | INHIBITORS OF NAALADASE ENZYME ACTIVITY | GUILFORD PHARMACEUTICALS INC. (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1998053812-A1 | INHIBITORS OF NAALADASE ENZYME ACTIVITY | GUILFORD PHARMACEUTICALS INC. (US) | 1998-12-03 | — | — | WO | disclosed |