Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | PLK1 | P53350 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.45 |
| ▸ | RARB | P10826 | 1/20 | 0.45 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | THRA | P10827 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13534766 | 0.83 | ESR1 (0.47) | NPC1RAB9ASMN1; SMN2PLK1ALDH1A1 | |
| SCHEMBL9008882 | 0.83 | SPHK1 (0.48) | NPC1RAB9ASMN1; SMN2PLK1ALDH1A1 | |
| SCHEMBL28022217 | 0.82 | ESR1 (0.44) | NPC1RAB9AALDH1A1HSD17B10CYP4A11 | |
| SCHEMBL21629642 | 0.82 | ESR1 (0.44) | ALDH1A1HSD17B10CYP4A11TAS1R3TAS1R1 | |
| SCHEMBL24295037 | 0.81 | ALDH1A1 (0.58) | NPC1RAB9ASMN1; SMN2PLK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9008881 | 0.81 | ALDH1A1 (0.49) | NPC1RAB9ASMN1; SMN2PLK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9008878 | 0.81 | ALDH1A1 (0.49) | NPC1RAB9ASMN1; SMN2PLK1ALDH1A1 | |
| SCHEMBL4772157 | 0.81 | ESR1 (0.38) | ALDH1A1HSD17B10POLBTAS1R3TAS1R1 | |
| SCHEMBL6575139 | 0.80 | ATM (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL5546946 | 0.80 | ESR1 (0.65) | NPC1RAB9ASMN1; SMN2GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0885220-A1 | TROPANE-DERIVATIVES, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997030997-A1 | TROPANE-DERIVATIVES, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 1997-08-28 | — | — | WO | disclosed |
| EP-0756596-A1 | TROPANE-2-ALDOXIME DERIVATIVES AS NEUROTRANSMITTER REUPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 1997-02-05 | — | — | EP | disclosed |
| WO-1995028401-A1 | TROPANE-2-ALDOXINE DERIVATIVES AS NEUROTRANSMITTER REUPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 1995-10-26 | — | — | WO | disclosed |