Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.40 |
| ▸ | MLNR | O43193 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5385667 | 0.82 | SLC6A2 (0.42) | ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8104625 | 0.80 | ALDH1A3 (0.58) | ALDH1A3ALDH1A1KDM4EDRD1CYP2A6 | |
| SCHEMBL6801248 | 0.80 | SLC6A2 (0.42) | ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7819927 | 0.75 | ALDH1A3 (0.51) | ALDH1A3ALDH1A1KDM4ESLC6A2SLC6A4 | |
| SCHEMBL1662863 | 0.73 | SSTR4 (0.41) | ALDH1A1SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL932915 | 0.70 | SLC6A2 (0.42) | ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3188474 | 0.70 | SLC6A2 (0.52) | ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3196075 | 0.70 | SLC6A2 (0.52) | ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3 | |
| SCHEMBL13745155 | 0.70 | SLC6A2 (0.38) | ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27513995 | 0.69 | SLC6A2 (0.40) | ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5990135-A | FOR TREATING A RETROVIRAL INFECTION SUCH AS HIV INFECTION; FOR EXAMPLE 5S-N-((2-PYRIDINYL)METHOXYCARBONYL)VALINYLAMINO-2-((N-3 -PYRIDINYL)METHOXYCARBONYL)AMINO-4S-HYDROXY-1,6-DIPHENYL-2-AZAHEXANE AND OTHER COMPOUNDS OF GIVEN FORMULA | ABBOTT LABORATORIES (US) | 1999-11-23 | — | — | US | disclosed |
| US-5631376-A | PEPTIDE DERIVATIVES FOR TREATMENT OF AIDS | ABBOTT LABORATORIES (US) | 1997-05-20 | — | — | US | disclosed |
| US-5621109-A | OXAZOLE/THIAZOLE DERIVATIVES OF HYDROXYMETHYL HYDRAZONES; SIDE EFFECT REDUCTION | ABBOTT LABORATORIES (US) | 1997-04-15 | — | — | US | disclosed |
| EP-0683772-A1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1995-11-29 | — | — | EP | disclosed |
| US-5461067-A | For HIV infections | ABBOTT LABORATORIES (US) | 1995-10-24 | — | — | US | disclosed |
| EP-0683772-A4 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS. | ABBOTT LAB (US) | 1995-09-27 | — | — | EP | disclosed |
| WO-1994019332-A1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1994-09-01 | — | — | WO | disclosed |