Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.64 |
| ▸ | GHSR | Q92847 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.43 |
| ▸ | WNT3A | P56704 | 1/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | CHUK | O15111 | 1/20 | 0.43 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | PTPRC | P08575 | 1/20 | 0.43 |
| ▸ | PTPN2 | P17706 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27399226 | 0.91 | ALDH1A1 (0.71) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| Benzoic Acid SCHEMBL8915824 | 0.90 | ALDH1A1 (0.71) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| SCHEMBL30201702 | 0.87 | ALDH1A1 (0.70) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| SCHEMBL50552 | 0.87 | ALDH1A1 (0.70) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| Oxalic Acid SCHEMBL8915851 | 0.86 | ALDH1A1 (0.69) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| Bromide SCHEMBL8916350 | 0.86 | ALDH1A1 (0.68) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| Hydrochloric Acid SCHEMBL8915608 | 0.86 | ALDH1A1 (0.68) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| Iodide SCHEMBL8916427 | 0.86 | ALDH1A1 (0.68) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| SCHEMBL29566955 | 0.86 | ALDH1A1 (0.68) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| Toluene SCHEMBL27373864 | 0.85 | ALDH1A1 (0.59) | ALDH1A1HSD17B10KDM4EHPGDENPP2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1170536-C | Method for preventing vomit and sexual disorder using tetrahydrobenzo [cd] indole-6-formylamine compound | — | 2004-10-13 | — | — | CN | disclosed |
| CN-1342457-A | Method for preventing vomit and sexual disorder using tetrahydrobenzo [cd] indole-6-formylamine compound | LILLY CO ELI (US) | 2002-04-03 | — | — | CN | disclosed |
| CN-1072932-C | Methods for preventing emesis and treating sexual dysfunction using tetrahydrobenzo [ cd ] indole-6-carboxamides | LILLY CO ELI (US) | 2001-10-17 | — | — | CN | disclosed |
| US-5703112-A | Method of preventing emesis using tetrahydrobenz CD!indole-6-carbonxamides | ELI LILLY AND COMPANY (US) | 1997-12-30 | — | — | US | disclosed |
| CN-1100634-A | Methods for preventing emesis and treating sexual dysfunction using tetrahydrobenzo [ cd ] indole-6-carboxamides | LILLY CO ELI (US) | 1995-03-29 | — | — | CN | disclosed |