Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | HPGD | P15428 | 6/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL8918710 | 0.78 | HPGD (0.64) | ALDH1A1HPGDSMN1; SMN2KDM4ENPC1 | |
| SCHEMBL8916681 | 0.77 | ITGB1 (0.44) | ALDH1A1SMN1; SMN2NPC1RAB9ACYP1A2 | |
| SCHEMBL8917760 | 0.75 | DHODH (0.36) | ALDH1A1SMN1; SMN2NPC1RAB9AGAA | |
| SCHEMBL1253969 | 0.70 | ALDH1A1 (0.63) | ALDH1A1HPGDSMN1; SMN2KDM4ENPC1 | |
| SCHEMBL31324770 | 0.70 | ALDH1A1 (0.63) | ALDH1A1HPGDSMN1; SMN2KDM4ENPC1 | |
| SCHEMBL1848870 | 0.68 | NPC1 (0.48) | ALDH1A1HPGDSMN1; SMN2KDM4ENPC1 | |
| SCHEMBL3392697 | 0.68 | HPGD (0.69) | ALDH1A1HPGDSMN1; SMN2KDM4ENPC1 | |
| SCHEMBL11210924 | 0.67 | NPC1 (0.44) | ALDH1A1HPGDNPC1GAALMNA | |
| SCHEMBL17500003 | 0.67 | HPGD (0.51) | ALDH1A1HPGDSMN1; SMN2KDM4ENPC1 | |
| SCHEMBL2801672 | 0.66 | HPGD (0.47) | ALDH1A1HPGDSMN1; SMN2KDM4ENPC1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5480997-A | VIRICIDE FOR HIV | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-01-02 | — | — | US | claimed |
| EP-0620811-A1 | HETEROCYCLE-SUBSTITUTED BENZYLAMINE DERIVATIVES AS ANTIRETROVIRAL COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 1994-10-26 | — | — | EP | claimed |
| WO-1993013069-A1 | HETEROCYCLE-SUBSTITUTED BENZYLAMINE DERIVATIVES AS ANTIRETROVIRAL COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-07-08 | — | — | WO | claimed |
| US-5604230-A | USEFUL IN INHIBITING THE REPLICATION OF HIV | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-02-18 | — | — | US | disclosed |
| US-5587387-A | ANTIRETROVIRAL COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-12-24 | — | — | US | disclosed |
| US-5552430-A | ANTIRETROVIRAL COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-09-03 | — | — | US | disclosed |
| US-5550135-A | ANTIRETROVIRAL AGENTS; TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-08-27 | — | — | US | disclosed |
| US-5541215-A | ANTIRETROVIRAL COMPOUNDS; TREATING HIV INFECTIONS | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-07-30 | — | — | US | disclosed |
| US-5480997-A | VIRICIDE FOR HIV | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-01-02 | — | — | US | disclosed |
| EP-0620811-A1 | HETEROCYCLE-SUBSTITUTED BENZYLAMINE DERIVATIVES AS ANTIRETROVIRAL COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 1994-10-26 | — | — | EP | disclosed |
| WO-1993013069-A1 | HETEROCYCLE-SUBSTITUTED BENZYLAMINE DERIVATIVES AS ANTIRETROVIRAL COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-07-08 | — | — | WO | disclosed |