Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2157691 | 0.79 | CA1 (0.55) | ALDH1A1TSHRSMN1; SMN2TP53HPGD | |
| SCHEMBL15176894 | 0.79 | CRHBP (0.43) | CYP3A4ALDH1A1HPGDMAPK1KMT2A | |
| SCHEMBL7358360 | 0.78 | CA14 (0.50) | CYP3A4ALDH1A1TSHRSMN1; SMN2ALOX15 | |
| Ammonia Solution, Strong SCHEMBL3235802 | 0.78 | CA1 (0.53) | ALDH1A1TSHRSMN1; SMN2TP53HPGD | |
| SCHEMBL3634659 | 0.78 | TDP1 (0.48) | CYP3A4ALDH1A1TSHRSMN1; SMN2ALOX15 | |
| SCHEMBL13831247 | 0.78 | NOX1 (0.50) | ALDH1A1SMN1; SMN2ALOX12MAPK1GAA | |
| SCHEMBL1980735 | 0.77 | ALDH1A1 (0.53) | CYP3A4ALDH1A1TSHRSMN1; SMN2ALOX15 | |
| SCHEMBL29703904 | 0.77 | ALDH1A1 (0.53) | CYP3A4ALDH1A1TSHRSMN1; SMN2ALOX15 | |
| SCHEMBL14272821 | 0.76 | NR4A2 (0.42) | ALDH1A1SMN1; SMN2ALOX15TP53HPGD | |
| SCHEMBL14364963 | 0.76 | MEN1 (0.42) | ALDH1A1TSHRTDP1TP53HPGD |
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-0641784-B1 | BENZIMIDAZOLE DERIVATIVE, PRODUCTION THEREOF, ANTIEMETIC CONTAINING SAME AS ACTIVE INGREDIENT, AND INTERMEDIATE FOR PRODUCING SAME | KANEBO LTD (JP) | 1997-11-19 | — | — | EP | disclosed |
| US-5407936-A | For vomiting due to chemotherapy with cisplatin | KANEBO LTD. (JP) | 1995-04-18 | — | — | US | disclosed |
| EP-0641784-A1 | BENZIMIDAZOLE DERIVATIVE, PRODUCTION THEREOF, ANTIEMETIC CONTAINING SAME AS ACTIVE INGREDIENT, AND INTERMEDIATE FOR PRODUCING SAME | KANEBO, LTD. (JP) | 1995-03-08 | — | — | EP | disclosed |