Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 15/20 | 0.40 |
| ▸ | MAPT | P10636 | 13/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.40 |
| ▸ | GAA | P10253 | 10/20 | 0.40 |
| ▸ | RAD52 | P43351 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hexanoate SCHEMBL8553500 | 0.87 | KDM4E (0.40) | KDM4EMAPTALDH1A1GAARAD52 | |
| Hexanoate SCHEMBL8551431 | 0.87 | KDM4E (0.40) | KDM4EMAPTALDH1A1GAARAD52 | |
| Hexanoate SCHEMBL8180689 | 0.76 | TLR9 (0.41) | MAPTALDH1A1SMN1; SMN2RAB9AKMT2A | |
| Hexanoate SCHEMBL8190714 | 0.74 | HTR1F (0.39) | KDM4EMAPTALDH1A1SMN1; SMN2RAB9A | |
| Hexanoate SCHEMBL7146845 | 0.71 | HTR1F (0.38) | KDM4EMAPTALDH1A1GAALMNA | |
| SCHEMBL8931360 | 0.66 | MLLT1 (0.42) | KDM4EALDH1A1RAB9AKMT2AMEN1 | |
| Acetic Acid SCHEMBL7142201 | 0.65 | BRD4 (0.43) | KDM4EMAPTALDH1A1RAD52KMT2A | |
| SCHEMBL7139432 | 0.64 | HTR1F (0.61) | MAPTSMN1; SMN2RAB9AKMT2AMEN1 | |
| Acetic Acid SCHEMBL8192311 | 0.64 | HTR1F (0.42) | KDM4EMAPTALDH1A1SMN1; SMN2RAB9A | |
| Hexanoate SCHEMBL8547299 | 0.63 | CNR2 (0.39) | MAPTALDH1A1SMN1; SMN2RAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0768301-B1 | N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists | LILLY CO ELI (US) | 2003-04-02 | — | — | EP | disclosed |
| US-6126932-A | INSOLUBLE POLYMER BEARING PENDANT SIDE CHAINS, SAID SIDE CHAINS EACH TERMINATING WITH THE 1-(3-(1-PYRROLIDINYL)-PROPYL)-3-ETHYLCARBODIIMIDE MOIETY. | ELI LILLY AND COMPANY (US) | 2000-10-03 | — | — | US | disclosed |
| US-5998630-A | A 1-(3-(1-PYRROLIDINYL)PROPY)-3-ETHYLCARBODIIMIDE | ELI LILLY AND COMPANY (US) | 1999-12-07 | — | — | US | disclosed |
| US-5942536-A | USEFUL FOR TREATING MIGRAINE | ELI LILLY AND COMPANY (US) | 1999-08-24 | — | — | US | disclosed |
| EP-0768301-A1 | N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists | ELI LILLY AND COMPANY (US) | 1997-04-16 | — | — | EP | disclosed |