Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 1.00 |
| ▸ | RAB9A | P51151 | 7/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.66 |
| ▸ | POLB | P06746 | 3/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | GSK3A | P49840 | 1/20 | 0.60 |
| ▸ | GSK3B | P49841 | 1/20 | 0.60 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.55 |
| ▸ | RELA | Q04206 | 1/20 | 0.55 |
| ▸ | APEX1 | P27695 | 1/20 | 0.55 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL23566380 | 0.81 | NPC1 (0.75) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| SCHEMBL2735291 | 0.79 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| SCHEMBL14155576 | 0.79 | RIPK1 (0.65) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| SCHEMBL27898220 | 0.77 | RIPK1 (0.62) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| SCHEMBL28753116 | 0.77 | TUBB4A (0.64) | NPC1RAB9ASMN1; SMN2CYP1A2EPHX1 | |
| SCHEMBL14097552 | 0.77 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| SCHEMBL544177 | 0.76 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| SCHEMBL16286465 | 0.76 | SMN1; SMN2 (1.00) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| SCHEMBL9154906 | 0.76 | CYP3A4 (0.71) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| SCHEMBL3498883 | 0.76 | LMNA (0.71) | NPC1RAB9ASMN1; SMN2POLBTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994020460-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-09-15 | — | — | WO | disclosed |
| EP-0529253-A1 | Phenylalkylderivatives, compounds containing them and process for their fabrication | Dr. Karl Thomae GmbH (DE) | 1993-03-03 | — | — | EP | disclosed |
| US-4026934-A | INSECTICIDES, ACARICIDES, FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-05-31 | — | — | US | disclosed |